SCHEMBL5967788

SCHEMBL5967788

[CH2]c1ccc(-c2nccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.63
▸ LOXL2 Q9Y4K0 1/20 0.60
▸ ADRB2 P07550 3/20 0.55
▸ CYP2A6 P11509 1/20 0.50
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ SMPD3 Q9NY59 1/20 0.41

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
SCHEMBL722198 0.89 PDPK1 (0.77) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL6852601 0.83 LOXL2 (0.67) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL17704291 0.80 PDPK1 (0.65) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL19219079 0.78 PDPK1 (0.63) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL3885226 0.78 LOXL2 (0.66) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL466424 0.78 PDPK1 (0.63) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL4589649 0.78 PDPK1 (0.63) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL466426 0.78 PDPK1 (0.63) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL21791658 0.78 LOXL2 (0.71) PDPK1LOXL2ADRB2CYP2A6ABL1
SCHEMBL5147639 0.78 PDPK1 (0.91) PDPK1LOXL2ADRB2CYP2A6ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 — — CN claimed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 — — CN claimed
CN-102548985-A Substituted carbonyl compounds UBE INDUSTRIES 2012-07-04 — — CN claimed
CN-102448940-A Pharmaceutical composition for treating or preventing glaucoma UBE INDUSTRIES 2012-05-09 — — CN claimed
CN-101970410-A Pyridylaminoacetic acid compounds UBE INDUSTRIES 2011-02-09 — — CN claimed
EP-1647545-A1 Antiviral protease inhibitors MEDIVIR AB (SE) 2006-04-19 — — EP claimed
EP-1005493-B1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-11-02 — — EP claimed
CN-1118476-C Antiviral protease inhibitors MEDIVIR AB (SE) 2003-08-20 — — CN claimed
US-6489364-B2 FROM L-MANNONIC-GAMMA-LACTONE INTERMEDIATES; FOR PROPHYLAXIS OF HIV/AIDS HIV MEDIVIR AB (SE) 2002-12-03 — — US claimed
US-20010044547-A1 Antiviral protease inhibitors MEDIVIR AB 2001-11-22 — — US claimed
US-6291687-B1 USED ASPARTYL PROTEASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) MEDIVIR AB (SE) 2001-09-18 — — US claimed
CN-1258301-A Antiviral protease inhibitors MEDIVIR AB (SE) 2000-06-28 — — CN claimed
EP-1005493-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2000-06-07 — — EP claimed
WO-1998045330-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 1998-10-15 — — WO claimed
CN-106458904-B N-substituted sulfonamide compound and process for producing the same 宇部兴产株式会社 2021-12-03 — — CN disclosed
CN-106458903-B Method for producing heteroaromatic sulfonamide compound 宇部兴产株式会社 2021-02-05 — — CN disclosed
US-10774072-B2 Crystal of N-substituted sulfonamide compound UBE INDUSTRIES, LTD. (JP) 2020-09-15 — — US disclosed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 — — US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 — — WO disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS — 1991-10-30 — — EP 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-10774072-B2 Crystal of N-substituted sulfonamide compound STS, SLC10A6, CA3 PDPK1 4775/4885LOXL2 3896/4885ADRB2 4371/4885
US-20010044547-A1 Antiviral protease inhibitors PEPD, PREP, CTSL PDPK1 3581/4885LOXL2 1281/4885ADRB2 3413/4885

“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.

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