SCHEMBL6130779

SCHEMBL6130779

O=C(O)c1csc2c(O)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.48
KDM4E B2RXH2 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HMGB1 P09429 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
KDM4A O75164 2/20 0.45
EGLN1 Q9GZT9 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
HIF1AN Q9NWT6 1/20 0.45

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
SCHEMBL11660115 0.85 TBXAS1 (0.50) TBXAS1KDM4ECA12CA1CA2
SCHEMBL6130740 0.80 PRNP (0.47) TBXAS1KDM4EALDH1A1CDC25BTSHR
SCHEMBL15998989 0.80 ALB (0.47) TBXAS1ALDH1A1CDC25BTSHRNR4A1
SCHEMBL6232575 0.78 NR4A1 (0.46) TBXAS1KDM4ECA12CA1CA2
SCHEMBL15700017 0.76 TBXAS1 (0.44) TBXAS1KDM4EHPGDALDH1A1NR4A1
SCHEMBL29799911 0.75 CA1 (0.42) TBXAS1KDM4ECA12CA1CA2
SCHEMBL72502 0.71 HDAC3 (0.65) KDM4EHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL6230409 0.70 PRNP (0.49) TBXAS1KDM4ECA12CA1CA2
SCHEMBL6130704 0.70 KDM4E (0.45) KDM4ECA12CA1CA2CA7
SCHEMBL20607404 0.70 TSHR (0.52) TBXAS1KDM4ECA12CA1CA2

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 13 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-1084711-B1 REMEDIES FOR THE TREATMENT OF ITCHING CONTAINING PGD2 ANTAGONISTS SHIONOGI & CO (JP) 2005-05-11 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
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 (4 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 TBXAS1 58/4885KDM4E 3862/4885CA12 4127/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 TBXAS1 195/4885KDM4E 4756/4885CA12 2382/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 TBXAS1 195/4885KDM4E 4756/4885CA12 2382/4885
US-20050227984-A1 Drugs for improving the prognosis of brain injury and a method of screening the same HPGDS, PTGDR, PTGDR2 TBXAS1 58/4885KDM4E 3862/4885CA12 4127/4885

“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.