SCHEMBL3862299

SCHEMBL3862299

CS(=O)(=O)O.OCCN1CCNCC1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CXCR4 P61073 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
RAD52 P43351 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
Sulfuric Acid SCHEMBL29010960 0.92 POLB (0.39) HSD17B10KMT2AMEN1CHRM5CHRM3
Sulfuric Acid SCHEMBL8846690 0.92 POLB (0.42) HSD17B10KMT2AMEN1CHRM5CHRM3
SCHEMBL28790654 0.90 POLB (0.38) HSD17B10KMT2AMEN1CHRM5CHRM3
SCHEMBL83682 0.90 POLB (0.38) HSD17B10KMT2AMEN1CHRM5CHRM3
SCHEMBL27719314 0.90 HSD17B10 (0.37) HSD17B10KMT2AMEN1CHRM5CHRM3
Hydrochloric Acid SCHEMBL28378505 0.89 SMN1; SMN2 (0.37) HSD17B10KMT2AMEN1CHRM5CHRM3
Ammonia Solution, Strong SCHEMBL28018788 0.89 POLB (0.37) HSD17B10KMT2AMEN1CHRM5CHRM3
SCHEMBL6010040 0.89 POLB (0.37) HSD17B10KMT2AMEN1CHRM5CHRM3
Alcohol SCHEMBL28979374 0.89 POLB (0.37) HSD17B10KMT2AMEN1CHRM5CHRM3
Sulfuric Acid SCHEMBL28627994 0.88 POLB (0.39) HSD17B10KMT2AMEN1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112351821-A Composition comprising a saturated fatty alcohol, at least one fatty chain anionic surfactant, a polyol and at least one silicone oil 莱雅公司 2021-02-09 CN disclosed
CN-102558231-B Ophthalmic compositions for treating ocular hypertension MERCK & CO INC 2015-05-27 CN disclosed
CN-102558231-A Ophthalmic compositions for treating ocular hypertension MERCK & CO INC 2012-07-11 CN disclosed
US-7563816-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-07-21 US disclosed
EP-1771170-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-07-08 EP disclosed
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP disclosed
EP-1663221-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-04-22 EP disclosed
WO-2009048558-A1 MAXI-K CHANNEL BLOCKERS AND METHODS OF USE MERCK & CO., INC. (US) 2009-04-16 WO disclosed
WO-2009048559-A1 MAXI-K CHANNEL BLOCKERS AND METHODS OF USE MERCK & CO., INC. (US) 2009-04-16 WO disclosed
EP-1663987-B1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-03-18 EP disclosed
WO-2005002520-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-01-13 WO disclosed
EP-1487438-A2 COMPOSITIONS AND METHODS FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION Merck & Co., Inc. (US) 2004-12-22 EP disclosed
WO-2004087051-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-10-14 WO disclosed
WO-2003105724-A2 NOVEL MAXI-K CHANNEL BLOCKERS, METHODS OF USE AND PROCESS FOR MAKING THE SAME MERCK & CO., INC. (US) 2003-12-24 WO disclosed
WO-2003105868-A1 NOVEL MAXI-K CHANNEL BLOCKERS, METHODS OF USE AND PROCESS FOR MAKING THE SAME MERCK & CO., INC. (US) 2003-12-24 WO disclosed
WO-2003105847-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2003-12-24 WO disclosed
US-20030191173-A1 Method for treating ocular hypertension GARCIA MARIA L (US) 2003-10-09 US disclosed
WO-2003077845-A2 COMPOSITIONS AND METHODS FOR TREATING GLAUCOMA AND OCULAR HYPERTENSION MERCK & CO., INC. (US) 2003-09-25 WO disclosed
US-6548535-B2 Administering indole diterpene compounds as potent potassium channel blockers MERCK & CO., INC. 2003-04-15 US disclosed
US-20010047025-A1 Method for treating ocular hypertension MERCK SHARP & DOHME CORP. 2001-11-29 US 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 (2 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-20010047025-A1 Method for treating ocular hypertension KCNH3, HCN1, KCNH2 HSD17B10 1994/4885KMT2A 2281/4885MEN1 1356/4885
US-20030191173-A1 Method for treating ocular hypertension KCNH3, HCN1, KCNH2 HSD17B10 1994/4885KMT2A 2281/4885MEN1 1356/4885

“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.