SCHEMBL1629066

SCHEMBL1629066

CC(C)(C)NCC(COc1nsnc1N1CCOCC1)OC(=O)/C=C\C(=O)OC(CNC(C)(C)C)COc1nsnc1N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.72
BLM P54132 1/20 0.72
CYP1A2 P05177 1/20 0.70
ADRB2 P07550 1/20 0.70
ADRB1 P08588 1/20 0.70
CYP3A4 P08684 1/20 0.70
HTR1A P08908 1/20 0.70
CYP2D6 P10635 1/20 0.70
ADRB3 P13945 1/20 0.70
NFKB1 P19838 1/20 0.70
DRD1 P21728 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTT P42858 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2519561 1.00 SMN1; SMN2 (0.72) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL21688483 1.00 SMN1; SMN2 (0.72) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL23789641 0.97 SMN1; SMN2 (0.68) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL1588408 0.96 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL4434481 0.96 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL7591866 0.96 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL1588404 0.96 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL22260724 0.96 SMN1; SMN2 (0.78) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL23789637 0.95 SMN1; SMN2 (0.66) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL21688913 0.95 SMN1; SMN2 (0.65) SMN1; SMN2BLMCYP1A2ADRB2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109546-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2001-06-27 EP claimed
WO-2000004898-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2000-02-03 WO claimed
US-12472273-B2 Sterilization process of timolol gel forming solution through aseptic filtration SENTISS PHARMA PRIVATE LIMITED (IN) 2025-11-18 US disclosed
US-12064440-B2 Ophthalmic gel compositions of bimatoprost and timolol and associated methods SOMERSET THERAPEUTICS, LLC (US) 2024-08-20 US disclosed
US-12042502-B2 Enhanced penetration ophthalmic compositions of bimatoprost and timolol SOMERSET THERAPEUTICS, LLC (US) 2024-07-23 US disclosed
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2024-03-21 US disclosed
CN-117466835-A Preparation method of 3-thiotimolol maleate 承德医学院 2024-01-30 CN disclosed
US-20230338393-A1 OPHTHALMIC GEL COMPOSITIONS OF BIMATOPROST AND TIMOLOL AND ASSOCIATED METHODS SOMERSET THERAPEUTICS, LLC 2023-10-26 US disclosed
US-20230293541-A1 METHODS OF TREATING OPHTHALMIC CONDITIONS WITH ENHANCED PENETRATION COMPOSITIONS OF BIMATOPROST AND TIMOLOL SOMERSET THERAPEUTICS, LLC 2023-09-21 US disclosed
US-20230293547-A1 ENHANCED PENETRATION OPHTHALMIC COMPOSITIONS OF BIMATOPROST AND TIMOLOL SOMERSET THERAPEUTICS, LLC 2023-09-21 US disclosed
US-20230143595-A1 A STERILIZATION PROCESS OF TIMOLOL GEL FORMING SOLUTION THROUGH ASEPTIC FILTRATION SENTISS PHARMA PRIVATE LIMITED (IN) 2023-05-11 US disclosed
US-20080233053-A1 nebulizer; eye-state detector, open or shut; reversibly actuatable radiation-source of sterilizing radiation; contactor for posterior eye; shut eye; vibrate eyelid; increase bioavailability to sclera, optic nerve, retina, brain, central nervous system, cerebral cavity, cerebrospinal fluid, spinal cord PHARMALIGHT INC. (DE) 2008-09-25 US disclosed
EP-1848541-A2 METHOD AND DEVICE FOR OPHTHALMIC ADMINISTRATION OF ACTIVE PHARMACEUTICAL INGREDIENTS Pharmalight Inc. (US) 2007-10-31 EP disclosed
EP-1748766-A1 SUSTAINED RELEASE INTRAOCULAR IMPLANTS COMPRISING A BETA ADRENERGIC RECEPTOR ANTAGONIST AND METHODS FOR TREATING OCULAR NEUROPATHIES ALLERGAN, INC. (US) 2007-02-07 EP disclosed
WO-2006082588-A2 METHOD AND DEVICE FOR OPHTHALMIC ADMINISTRATION OF ACTIVE PHARMACEUTICAL INGREDIENTS PHARMALIGHT INC. (US) 2006-08-10 WO disclosed
WO-2005110380-A1 SUSTAINED RELEASE INTRAOCULAR IMPLANTS COMPRISING A BETA ADRENERGIC RECEPTOR ANTAGONIST AND METHODS FOR TREATING OCULAR NEUROPATHIES ALLERGAN, INC. (US) 2005-11-24 WO disclosed
US-20050244458-A1 Sustained release intraocular implants and methods for treating ocular neuropathies ALLERGAN, INC. (US) 2005-11-03 US disclosed
EP-0941218-B1 ANTITHROMBOTIC ORGANIC NITRATES NICOX SA (FR) 2002-10-16 EP disclosed
US-6242432-B1 ANTIHYPERTENSIVE ACTIVITY, ANTIHYPERSENSITIVE ACTIVITY; TREATMENT OF CARDIOVASCULAR DISEASE NICOX S.A. (FR) 2001-06-05 US disclosed
WO-1992018124-A1 OPHTHALMIC COMPOSITIONS COMPRISING COMBINATIONS OF A CARBONIC ANHYDRASE INHIBITOR AND A β-ADRENERGIC ANTAGONIST MERCK & CO., INC. (US) 1992-10-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12042502-B2 Enhanced penetration ophthalmic compositions of bimatoprost and timolol PTGIS, PTGIR, MYOC SMN1; SMN2 3072/4885BLM 2221/4885CYP1A2 468/4885
US-12064440-B2 Ophthalmic gel compositions of bimatoprost and timolol and associated methods PTGIS, PTGIR, PTGS1 SMN1; SMN2 4259/4885BLM 1433/4885CYP1A2 439/4885
US-20230338393-A1 OPHTHALMIC GEL COMPOSITIONS OF BIMATOPROST AND TIMOLOL AND ASSOCIATED METHODS PTGIS, PTGIR, PTGS1 SMN1; SMN2 4259/4885BLM 1433/4885CYP1A2 439/4885
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D SMN1; SMN2 1501/4885BLM 2559/4885CYP1A2 2699/4885
US-20230293547-A1 ENHANCED PENETRATION OPHTHALMIC COMPOSITIONS OF BIMATOPROST AND TIMOLOL PTGIS, PTGIR, MYOC SMN1; SMN2 3072/4885BLM 2221/4885CYP1A2 468/4885
US-20230293541-A1 METHODS OF TREATING OPHTHALMIC CONDITIONS WITH ENHANCED PENETRATION COMPOSITIONS OF BIMATOPROST AND TIMOLOL PTGIS, PTGIR, PTGS1 SMN1; SMN2 3478/4885BLM 1513/4885CYP1A2 1026/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.