SCHEMBL6130757

SCHEMBL6130757

O=C(O)c1csc2ccc(OS(=O)(=O)Cc3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.44
TBXAS1 P24557 2/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 2/20 0.39
CNR2 P34972 1/20 0.37
NFATC1 O95644 1/20 0.36
PTPN1 P18031 1/20 0.35
ACLY P53396 1/20 0.35
EDNRA P25101 1/20 0.35
MCL1 Q07820 2/20 0.34
STS P08842 1/20 0.34
BCL2A1 Q16548 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL3977036 0.81 CA12 (0.47) HTTTBXAS1SMN1; SMN2PTPN1
SCHEMBL30656241 0.80 FFAR1 (0.56) KMT2ASMN1; SMN2FFAR1EDNRAMCL1
SCHEMBL6130765 0.73 MTNR1A (0.52) KMT2ATBXAS1TSHRSMN1; SMN2HSD17B10
SCHEMBL6232289 0.72 CA12 (0.45) KMT2AHTTKEAP1NFE2L2SMN1; SMN2
SCHEMBL4643044 0.72 CA2 (0.45) HTTSMN1; SMN2
SCHEMBL14462523 0.72 CA12 (0.45) HTTSMN1; SMN2STS
SCHEMBL6130728 0.71 KDM4E (0.54) HTTTBXAS1TSHRHSD17B10
Phenyl Phenylmethanesulfonate SCHEMBL6912876 0.68 KMT2A (1.00) KMT2AHTTNFE2L2TSHRSTS
SCHEMBL3319330 0.68 IDO1 (0.46) KMT2ATBXAS1CNR2PTPN1HDAC3
SCHEMBL11665561 0.68 KMT2A (0.76) KMT2AHTTSTSHDAC6

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 12 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
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 KMT2A 3129/4885HTT 3014/4885TBXAS1 58/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 KMT2A 4117/4885HTT 4612/4885TBXAS1 195/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 KMT2A 4117/4885HTT 4612/4885TBXAS1 195/4885
US-20050227984-A1 Drugs for improving the prognosis of brain injury and a method of screening the same HPGDS, PTGDR, PTGDR2 KMT2A 3129/4885HTT 3014/4885TBXAS1 58/4885

“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.