SCHEMBL6340423

SCHEMBL6340423

O=C(O)CSCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL6856779 0.84 ALDH1A1 (0.62) CYP1A2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL31481622 0.84 ALDH1A1 (0.62) CYP1A2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL3625735 0.83 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL7821178 0.83 CYP1A2 (0.40) CYP1A2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL5095184 0.79 KMT2A (0.47) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL1349897 0.78 ALDH1A1 (0.55) CYP1A2ALDH1A1TSHRHPGDMEN1
SCHEMBL752336 0.78 ALDH1A1 (0.46) CYP1A2ALDH1A1TSHRMAPTKDM4E
SCHEMBL752337 0.78 ALDH1A1 (0.46) CYP1A2ALDH1A1TSHRMAPTKDM4E
SCHEMBL29462217 0.78 ALDH1A1 (0.46) CYP1A2ALDH1A1TSHRMAPTKDM4E
SCHEMBL74692 0.78 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRHPGDL3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026908-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical aggents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-02-03 US disclosed
US-6835752-B2 Can bind to Prostaglandin E2 receptors, especially, EP3 receptor and/or EP4 receptor and show antagonizing activity, and may be useful for prevention and/or treatment of disease, for example, pain, allergy, Alzheimer's disease, cancer ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US disclosed
US-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-11-25 US disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
EP-1312601-A1 CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-21 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
EP-0783318-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-10-20 EP disclosed
EP-0783318-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
US-5585359-A LACK OF THIOL MOIETY PREVENTS THIOL-DEPENDENT CHEMICAL REACTIONS AND REDUCES SYSTEMIC TOXICITY MERCK & CO., INC. (US) 1996-12-17 US disclosed
WO-1996009836-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed
US-4886797-A CENTRAL NERVOUS SYSTEM DISORDERS A/S FERROSAN (DK) 1989-12-12 US disclosed
US-4880799-A CENTRAL NERVOUS SYSTEM DISORDERS, ANTICONVULSANTS A/S FERROSAN (DK) 1989-11-14 US disclosed
US-4870073-A CENTRAL NERVOUS SYSTEM DISORDERS, ANTHELMINTICS, PARASITICIDES, INSECTICIDES A/S FERROSAN (DK) 1989-09-26 US disclosed
EP-0220845-A1 Heterocyclic compounds and their preparation and use A/S FERROSAN (DK) 1987-05-06 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 (3 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-20050026908-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical aggents comprising the same as active ingredient PTGER4, PTGER3, LTB4R CYP1A2 174/4885ALDH1A1 399/4885TSHR 2539/4885
US-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PTGER4, PTGER1, LTB4R CYP1A2 133/4885ALDH1A1 224/4885TSHR 2511/4885
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient PTGER4, PTGER1, PTGER2 CYP1A2 119/4885ALDH1A1 212/4885TSHR 2553/4885

“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.