SCHEMBL16441817

SCHEMBL16441817

CCS(=O)(=O)c1ccc(C(Br)Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.52
GAA P10253 1/20 0.52
PLCG1 P19174 1/20 0.40
RORC P51449 10/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RORA P35398 3/20 0.37
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NR1I2 O75469 1/20 0.34

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
SCHEMBL10455034 0.81 PSIP1 (0.74) PSIP1GAAPLCG1ALDH1A1CYP3A4
SCHEMBL10180779 0.80 GAA (0.59) PSIP1GAARORCALDH1A1KDM4E
SCHEMBL28020890 0.78 PSIP1 (0.52) PSIP1GAARORCALDH1A1CYP3A4
SCHEMBL19987486 0.78 PSIP1 (0.52) PSIP1GAAPLCG1RORCALDH1A1
SCHEMBL18193725 0.77 ENPP2 (0.50) CYP3A4MEN1KMT2A
SCHEMBL28554996 0.77 PSIP1 (0.50) PSIP1GAARORCALDH1A1CYP3A4
SCHEMBL18440551 0.77 GAA (0.55) PSIP1GAARORCALDH1A1CYP3A4
SCHEMBL10179790 0.77 PSIP1 (0.50) PSIP1GAAALDH1A1KDM4EMEN1
SCHEMBL30026174 0.77 PSIP1 (0.50) PSIP1GAARORCALDH1A1CYP3A4
SCHEMBL16232116 0.77 GAA (0.55) PSIP1GAARORCALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3418280-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
EP-3131902-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2019-06-12 EP disclosed
EP-3041821-B1 BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA BOEHRINGER INGELHEIM INT (DE) 2018-05-30 EP disclosed
US-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2018-01-25 US disclosed
US-9745267-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745267-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745297-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745297-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9598415-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-9598415-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
US-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
US-20160075706-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2016-03-17 US disclosed
US-9242989-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9242989-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
WO-2015160654-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-22 WO disclosed
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
WO-2015035032-A1 BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-12 WO disclosed
WO-2015017335-A1 AZAINDOLE COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-05 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-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA PSIP1 2803/4885GAA 1443/4885PLCG1 2773/4885
US-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC RORC, RORB, RORA PSIP1 2918/4885GAA 2471/4885PLCG1 3489/4885
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA PSIP1 2803/4885GAA 1443/4885PLCG1 2773/4885
US-20160075706-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA PSIP1 2803/4885GAA 1443/4885PLCG1 2773/4885

“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.