SCHEMBL4170909

SCHEMBL4170909

Cc1ccc(S(=O)(=O)n2cc(Br)cc2C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
UBE2N P61088 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
RAPGEF4 Q8WZA2 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
PKM P14618 2/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
ALDH3A1 P30838 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MMP2 P08253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
TLR9 Q9NR96 1/20 0.37
MCOLN3 Q8TDD5 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
SCHEMBL29564645 0.82 CA1 (0.42) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL22689649 0.81 FBP1 (0.44) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL22689650 0.81 FBP1 (0.44) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL3464148 0.79 ALDH1A1 (0.40) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL28649703 0.78 CA1 (0.44) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL18951969 0.78 CA1 (0.49) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL28538858 0.78 CA1 (0.49) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL28904396 0.78 CA1 (0.49) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL30625972 0.77 CA1 (0.43) KDM4EUBE2NCA1CA2RAPGEF4
SCHEMBL28772676 0.77 CA1 (0.41) KDM4EUBE2NCA1CA2RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119752217-A Narrow emission dyes, compositions comprising the same, and methods of making and using the same 尼尔瓦纳科学股份有限公司 2025-04-04 CN disclosed
CN-114222803-B Narrow emission dyes, compositions comprising the same, and methods of making and using the same 尼尔瓦纳科学股份有限公司 2025-01-07 CN disclosed
EP-3959293-B1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRVANA SCIENCES INC (US) 2024-11-13 EP disclosed
CN-113544131-B Pyrrolo-heterocyclic derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-03-15 CN disclosed
CN-113825757-B Substituted fused bicyclic derivatives, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-10-20 CN disclosed
US-20220249707-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRVANA SCIENCES INC. (US) 2022-08-11 US disclosed
US-20220204512-A1 SUBSTITUTED FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-06-30 US disclosed
US-20220185818-A1 PYRROLOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2022-06-16 US disclosed
EP-3978498-A1 SUBSTITUTED FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINES Jiangsu Hengrui Medicine Co., Ltd. (CN) 2022-04-06 EP disclosed
CN-114222803-A Narrow emission dyes, compositions comprising the same, and methods of making and using the same 尼尔瓦纳科学股份有限公司 2022-03-22 CN disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
WO-2007064841-A2 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064842-A2 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO disclosed
US-7105563-B2 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-12 US disclosed
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 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 (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-20220185818-A1 PYRROLOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE MAPKAP1, WEE1, WEE2 KDM4E 3586/4885UBE2N 3285/4885CA1 4654/4885
US-20220249707-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME AQP4, CLSPN, CHLSN KDM4E 2215/4885UBE2N 717/4885CA1 165/4885
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, HCCS KDM4E 3333/4885UBE2N 2410/4885CA1 2283/4885
US-20050090541-A1 Indolinone derivatives and their use in treating disease-states such as cancer PDK3, PDK2, PDK4 KDM4E 1922/4885UBE2N 2435/4885CA1 4485/4885
US-20220204512-A1 SUBSTITUTED FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINES WEE1, MAPK8, WEE2 KDM4E 3818/4885UBE2N 2824/4885CA1 4814/4885

“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.