SCHEMBL15570469

SCHEMBL15570469

COC(=O)c1c(Cl)cccc1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 2/20 0.48
TAS1R3 Q7RTX0 4/20 0.46
TAS1R1 Q7RTX1 4/20 0.46
TAS1R2 Q8TE23 4/20 0.46
SLC6A3 Q01959 2/20 0.45
TSHR P16473 3/20 0.44
NPC1 O15118 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
PTGDR Q13258 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL15570703 0.98 TAS1R3 (0.47) MEN1KMT2ARAB9ATAS1R3TAS1R1
SCHEMBL15569289 0.95 TAS1R3 (0.46) MEN1KMT2ARAB9ATAS1R3TAS1R1
SCHEMBL15565811 0.92 SLC6A3 (0.51) MEN1KMT2ARAB9ATAS1R3TAS1R1
SCHEMBL6707432 0.84 KDM4E (0.47) KMT2ATSHRPTGDR2KDM4EHSD17B10
SCHEMBL21932852 0.82 KDM4E (0.48) MEN1KMT2ATSHRPTGDR2KDM4E
SCHEMBL16981781 0.81 TAS1R3 (0.47) MEN1KMT2ARAB9ATAS1R3TAS1R1
SCHEMBL15570620 0.81 ALDH1A1 (0.55) MEN1KMT2ARAB9ATAS1R3TAS1R1
SCHEMBL15570286 0.81 TAS1R3 (0.46) MEN1KMT2ARAB9ATAS1R3TAS1R1
SCHEMBL15570771 0.80 ALDH1A1 (0.57) MEN1KMT2ARAB9ATAS1R3TAS1R1
SCHEMBL15570366 0.80 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2NPC1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
EP-2884981-B1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2018-06-20 EP disclosed
EP-2884981-B1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2018-06-20 EP disclosed
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-25 US disclosed
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-25 US disclosed
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-25 US disclosed
US-9745265-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745265-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745265-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
CN-104853757-A 4-heteroaryl substituted benzoic acid compounds as ROR gamma T inhibitors and uses thereof MERCK SHARP & DOHME 2015-08-19 CN disclosed
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
EP-2884981-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014028589-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 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-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC MEN1 3277/4885KMT2A 953/4885RAB9A 690/4885
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC MEN1 3277/4885KMT2A 953/4885RAB9A 690/4885
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC MEN1 3277/4885KMT2A 953/4885RAB9A 690/4885

“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.