SCHEMBL1370997

SCHEMBL1370997

Nc1ncc(S(=O)(=O)O)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
CA3 P07451 1/20 0.41
ALDH1A1 P00352 8/20 0.38
TSHR P16473 2/20 0.38
NT5E P21589 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL31275351 1.00 HTT (0.50) HTTKMT2AKDM4ECA1CA2
Bromide SCHEMBL7392827 0.98 HTT (0.48) HTTKMT2AKDM4ECA1CA2
SCHEMBL29045347 0.98 HTT (0.48) HTTKMT2AKDM4ECA1CA2
SCHEMBL29267304 0.81 HTT (0.50) HTTKMT2AKDM4ECA1CA2
SCHEMBL28645824 0.79 HTT (0.48) HTTKMT2AKDM4ECA1CA2
SCHEMBL10571476 0.78 ALDH1A1 (0.50) KDM4ECA1CA2CA9ALDH1A1
SCHEMBL7392823 0.78 HTT (0.47) HTTKMT2AKDM4ECA1CA2
SCHEMBL2650456 0.77 ALDH1A1 (0.59) HTTKMT2AALDH1A1GAAMAPT
SCHEMBL5623766 0.77 NOS3 (0.50) KMT2AKDM4EALDH1A1TSHRNT5E
SCHEMBL27903839 0.77 KDM4E (0.48) KDM4ECA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119114152-A Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2024-12-13 CN disclosed
CN-110769931-B Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2024-09-17 CN disclosed
US-20240000084-A1 ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD ACENET INC. (JP) 2024-01-04 US disclosed
WO-2023190598-A1 COMPOSITION アース製薬株式会社 2023-10-05 WO disclosed
US-20230263710-A1 ORAL CARE AGENT OSAKA UNIVERSITY (JP) 2023-08-24 US disclosed
EP-4230042-A1 ANTIPATHOGENIC DRUG, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN PROCESSING DEVICE, METHOD FOR PRODUCING ANTIPATHOGENIC DRUG, ANTIBACTERIAL METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN PROCESSING METHOD Acenet Inc. (JP) 2023-08-23 EP disclosed
US-20230181628-A1 EPITHELIAL CANCER THERAPEUTIC AGENT OSAKA UNIVERSITY (JP) 2023-06-15 US disclosed
CN-116157109-A Oral pharmaceutical preparation 国立大学法人大阪大学 2023-05-23 CN disclosed
EP-4147703-A1 EPITHELIAL CANCER THERAPEUTIC AGENT OSAKA UNIVERSITY (JP) 2023-03-15 EP disclosed
CN-115666593-A Therapeutic agent for epithelial cancer 国立大学法人大阪大学 2023-01-31 CN disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
CN-1229349-C Pyridine-3-carboxylic acid derivative PFIZER (US) 2005-11-30 CN disclosed
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
CN-1495169-A Pyridine-3-carboxylic acid derivative 2004-05-12 CN disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
EP-1285658-A2 Treatments for female sexual dysfunction Pfizer Productors Inc. (US) 2003-02-26 EP disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 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 (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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B HTT 4170/4885KMT2A 4533/4885KDM4E 1840/4885
US-20230263710-A1 ORAL CARE AGENT TAS2R39, TAS2R40, TAS2R45 HTT 2471/4885KMT2A 476/4885KDM4E 1296/4885
US-20230181628-A1 EPITHELIAL CANCER THERAPEUTIC AGENT EPCAM, EGFR, MUC1 HTT 4651/4885KMT2A 2505/4885KDM4E 3793/4885
US-20240000084-A1 ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD EIF2AK2, HAO2, ZC3HAV1 HTT 94/4885KMT2A 2886/4885KDM4E 4109/4885

“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.