SCHEMBL2177075

SCHEMBL2177075

NC(=O)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
MPO P05164 7/20 0.74
ICMT O60725 7/20 0.73
SLC6A4 P31645 1/20 0.72
NOTUM Q6P988 2/20 0.64
GPR84 Q9NQS5 1/20 0.63
HTR2A P28223 2/20 0.60
TRPM8 Q7Z2W7 1/20 0.60
HTR1A P08908 1/20 0.59
KMT2A Q03164 1/20 0.59
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
HTR2C P28335 1/20 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
SCHEMBL1972740 0.88 GPR84 (0.63) TSHRMPOICMTSLC6A4NOTUM
SCHEMBL2260803 0.86 TSHR (1.00) TSHRMPOICMTSLC6A4NOTUM
Hydrochloric Acid SCHEMBL1372337 0.84 TSHR (0.97) TSHRMPOICMTSLC6A4NOTUM
SCHEMBL20388709 0.84 TSHR (0.75) TSHRMPOICMTSLC6A4NOTUM
SCHEMBL3695233 0.84 MPO (1.00) TSHRMPOSLC6A4NOTUMHTR2A
SCHEMBL1032415 0.83 NPSR1 (0.74) TSHRICMTSLC6A4NOTUMHTR2A
SCHEMBL2410329 0.82 MPO (1.00) TSHRMPOSLC6A4NOTUMHTR2A
SCHEMBL2405521 0.82 TSHR (0.63) TSHRMPOICMTSLC6A4NOTUM
SCHEMBL25139955 0.82 TSHR (0.71) TSHRMPOSLC6A4NOTUMGPR84
SCHEMBL25139426 0.82 TSHR (0.71) TSHRMPOSLC6A4NOTUMGPR84

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-8742100-B2 Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-03 US disclosed
US-8742100-B2 Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-03 US disclosed
US-8742100-B2 Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-03 US disclosed
US-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 US disclosed
US-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 US disclosed
EP-2459533-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY National University of Singapore (SG) 2012-06-06 EP disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (8 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP TSHR 4484/4885MPO 3592/4885ICMT 4301/4885
US-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN TSHR 4824/4885MPO 1652/4885ICMT 141/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 TSHR 723/4885MPO 1311/4885ICMT 3459/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN TSHR 4824/4885MPO 1652/4885ICMT 141/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 TSHR 723/4885MPO 1311/4885ICMT 3459/4885
US-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY ICMT, BHMT, SHMT1 TSHR 4647/4885MPO 891/4885ICMT 1/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 TSHR 289/4885MPO 3915/4885ICMT 4648/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 TSHR 1579/4885MPO 1468/4885ICMT 3075/4885

“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.