SCHEMBL6130765

SCHEMBL6130765

COc1ccc2scc(C(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
MTNR1B P49286 4/20 0.52
KDM4E B2RXH2 8/20 0.50
POLB P06746 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL11260725 0.89 KDM4E (0.50) MTNR1AMTNR1BKDM4EPOLBALDH1A1
SCHEMBL2814704 0.87 CA12 (0.49) MTNR1AMTNR1BKDM4EPOLBALDH1A1
SCHEMBL8555827 0.87 MTNR1A (0.56) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL9209256 0.85 MTNR1A (0.48) MTNR1AMTNR1BKDM4EPOLBALDH1A1
SCHEMBL6130728 0.84 KDM4E (0.54) MTNR1AMTNR1BKDM4EPOLBALDH1A1
SCHEMBL9209251 0.82 MTNR1A (0.45) MTNR1AMTNR1BKDM4EPOLBALDH1A1
SCHEMBL10983401 0.82 MTNR1A (0.45) MTNR1AMTNR1BKDM4EPOLBALDH1A1
SCHEMBL9220938 0.80 MTNR1A (0.49) MTNR1AMTNR1BKDM4EHPGDTDP1
SCHEMBL1577696 0.80 MTNR1A (0.49) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7956785 0.79 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598065-A2 Drugs for improving prognosis of brain injury Japan Science and Technology Agency (JP) 2005-11-23 EP disclosed
US-20050227984-A1 Drugs for improving the prognosis of brain injury and a method of screening the same TAIHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 US disclosed
US-20050222235-A1 Drugs for improving the prognosis of brain injury and a method of screening the same SHIONOGI & CO., LTD. (JP) 2005-10-06 US disclosed
EP-1535629-A1 DRUGS FOR IMPROVING THE PROGNOSIS OF BRAIN INJURY AND A METHOD OF SCREENING THE SAME Japan Science and Technology Agency (JP) 2005-06-01 EP disclosed
EP-1334095-B1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO (JP) 2005-01-19 EP disclosed
EP-1334095-A4 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO (JP) 2004-03-17 EP disclosed
US-6693203-B2 REACTING NOPINONE ENOLATE WITH ALKYL 7-HALO-5-HEPTYNOATE, REACTING PRODUCT WITH HYDROXYLAMINE, TREATING WITH TITANIUM TRICHLORIDE AND BORANE REAGENT, HYDROGENATING, REACTING WITH 5-HYDROXY-4-BENZOTHIOPHENECARBOXYLIC ACID, HYDROLYZING SHIONOGI & CO., LTD (JP) 2004-02-17 US disclosed
US-20030199702-A1 Process for the preparation of pgd2 antagonist LARSEN ROBERT (US) 2003-10-23 US disclosed
EP-1334095-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD. (JP) 2003-08-13 EP disclosed
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists SHIONOGI & CO., LTD. 2003-02-06 US disclosed
US-6506789-B2 For prophylaxis and therapy of itching derived from contact dermatitis, allergic conjunctivitis, urticaria, atopic dermatitis SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
EP-0944614-B1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO (JP) 2002-09-11 EP disclosed
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists ARIMURA AKINORI (JP) 2002-05-16 US disclosed
WO-2002032892-A1 PROCESS FOR THE PREPARATION OF PGD2 ANTAGONIST SHIONOGI & CO., LTD (JP) 2002-04-25 WO disclosed
EP-1084711-A1 REMEDIES FOR ITCHING CONTAINING PGD 2? ANTAGONISTS SHIONOGI & CO., LTD. (JP) 2001-03-21 EP disclosed
US-6083974-A BENZOTHIOPHENECARBOXAMIDE CONTAINING NORPINANE RING IS USEFUL FOR PREVENTING NASAL BLOCKAGE SHIONOGI & CO., LTD. (JP) 2000-07-04 US disclosed
EP-0944614-A1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO., LTD. (JP) 1999-09-29 EP disclosed
WO-1998025919-A1 BENZOTHIOPHENECARBOXAMIDE DERIVATIVES AND PGD2 ANTAGONISTS COMPRISING THEM SHIONOGI & CO., LTD. (JP) 1998-06-18 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 (5 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-20050222235-A1 Drugs for improving the prognosis of brain injury and a method of screening the same HPGDS, PTGDR, PTGDR2 MTNR1A 86/4885MTNR1B 84/4885KDM4E 3862/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 MTNR1A 80/4885MTNR1B 79/4885KDM4E 4756/4885
US-20030199702-A1 Process for the preparation of pgd2 antagonist PTGDR, PTGDR2, PTGER2 MTNR1A 1023/4885MTNR1B 495/4885KDM4E 1985/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 MTNR1A 80/4885MTNR1B 79/4885KDM4E 4756/4885
US-20050227984-A1 Drugs for improving the prognosis of brain injury and a method of screening the same HPGDS, PTGDR, PTGDR2 MTNR1A 86/4885MTNR1B 84/4885KDM4E 3862/4885

“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.