SCHEMBL498796

SCHEMBL498796

O=C(O)c1csc2cc(Br)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 3/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 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
HDAC2 Q92769 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
ALAD P13716 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
SCHEMBL8584887 0.94 CYP2A6 (0.47) TBXAS1KDM4EGLAMEN1KMT2A
SCHEMBL2082067 0.86 CYP2A6 (0.53) TBXAS1KDM4EGLAMEN1KMT2A
SCHEMBL2524982 0.84 DGAT1 (0.47) KDM4EGLAMEN1KMT2ARXFP1
SCHEMBL497770 0.84 CYP2A6 (0.44) MEN1KMT2ARXFP1TSHRNPC1
SCHEMBL497960 0.80 NR4A2 (0.49) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL6130739 0.80 TBXAS1 (0.48) TBXAS1MEN1KMT2ATSHRHDAC3
SCHEMBL31564131 0.80 TBXAS1 (0.48) TBXAS1KDM4ETSHRNPC1HDAC3
SCHEMBL6130768 0.79 TBXAS1 (0.50) TBXAS1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6130706 0.79 BCKDK (0.49) TBXAS1KDM4EMEN1KMT2ARXFP1
SCHEMBL2848918 0.79 MAPT (0.47) TBXAS1KDM4EMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
US-20100117066-A1 Organic Semiconductors MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 EP disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 3862/4885GLA 557/4885
US-20100117066-A1 Organic Semiconductors DBF4, DDT, SOAT1 TBXAS1 1149/4885KDM4E 297/4885GLA 4811/4885
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 TBXAS1 333/4885KDM4E 4157/4885GLA 2265/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 TBXAS1 195/4885KDM4E 4756/4885GLA 1593/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 TBXAS1 195/4885KDM4E 4756/4885GLA 1593/4885
US-20050227984-A1 Drugs for improving the prognosis of brain injury and a method of screening the same HPGDS, PTGDR, PTGDR2 TBXAS1 58/4885KDM4E 3862/4885GLA 557/4885

“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.