SCHEMBL4121234

SCHEMBL4121234

O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.72
ALDH1A1 P00352 3/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 1/20 0.65
MCL1 Q07820 2/20 0.59
BCL2 P10415 1/20 0.59
BID P55957 1/20 0.59
NOD2 Q9HC29 4/20 0.56
NOD1 Q9Y239 4/20 0.56
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56

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
SCHEMBL31599460 1.00 CCR2 (0.72) CCR2ALDH1A1LMNAMAPTMCL1
Hydrochloric Acid SCHEMBL4119324 0.98 CCR2 (0.71) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL6864420 0.90 ALDH1A1 (0.73) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL16794402 0.90 NOD1 (0.71) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL13802522 0.90 CCR2 (0.76) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL3836440 0.88 ALDH1A1 (0.62) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL3056166 0.88 ALDH1A1 (0.62) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL6955317 0.87 CCR2 (0.73) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL3146260 0.86 CCR2 (0.64) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL13114468 0.86 CCR2 (0.64) CCR2ALDH1A1LMNAMAPTMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO claimed
CN-104822267-B The inhibitor and its application method that hepatitis b virus covalence closed cyclic DNA is formed 巴鲁克·S·布伦博格研究所 2018-01-23 CN disclosed
US-9657013-B2 Inhibitors of hepatitis B virus covalently closed circular DNA formation and their method of use BARUCH S. BLUMBERG INSTITUTE (US) 2017-05-23 US disclosed
US-9657013-B2 Inhibitors of hepatitis B virus covalently closed circular DNA formation and their method of use BARUCH S. BLUMBERG INSTITUTE (US) 2017-05-23 US disclosed
US-9657013-B2 Inhibitors of hepatitis B virus covalently closed circular DNA formation and their method of use BARUCH S. BLUMBERG INSTITUTE (US) 2017-05-23 US disclosed
CN-104822267-A INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE BARUCH S BLUMBERG INST 2015-08-05 CN disclosed
US-20150038515-A1 INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 US disclosed
US-20150038515-A1 INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 US disclosed
US-20150038515-A1 INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 US disclosed
EP-2819671-A2 BINHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE Baruch S. Blumberg Institute (US) 2015-01-07 EP disclosed
WO-2013130703-A2 BINHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH (US) 2013-09-06 WO disclosed
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors AVENTIS PHARMA S.A. (FR) 2009-10-08 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
EP-1534268-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-11-02 EP disclosed
EP-1534268-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed
US-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-02 US disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 WO disclosed
WO-2004014300-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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 (3 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-20040242559-A1 Novel indole derivatives, preparation thereof as medicinal products and pharmaceutical compositions, and especially as KDR inhibitors FLT4, KDR, CYP3A4 CCR2 318/4885ALDH1A1 1515/4885LMNA 4771/4885
US-20090253697-A1 Novel Indole Derivatives, Preparation Thereof as Medicinal Products and Pharmaceutical Compositions, and Especially as KDR Inhibitors KDR, FLT1, FLT4 CCR2 1242/4885ALDH1A1 326/4885LMNA 3126/4885
US-20150038515-A1 INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE HAVCR2, PCNA, DNMT1 CCR2 2192/4885ALDH1A1 4030/4885LMNA 418/4885

“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.