SCHEMBL15570703

SCHEMBL15570703

COC(=O)c1c(Cl)cccc1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
TAS1R2 Q8TE23 4/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SLC6A3 Q01959 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 3/20 0.45
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
GAA P10253 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 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL15570469 0.98 MEN1 (0.48) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL15569289 0.97 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL15565811 0.94 SLC6A3 (0.51) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL21932852 0.83 KDM4E (0.48) MEN1KMT2ATSHRKDM4EHSD17B10
SCHEMBL16981781 0.83 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6707432 0.82 KDM4E (0.47) KMT2ATSHRKDM4EHSD17B10ALDH1A1
SCHEMBL15570771 0.81 ALDH1A1 (0.57) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL15570366 0.81 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2ALDH1A1HPGD
SCHEMBL20275235 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2TSHRALDH1A1
SCHEMBL15570286 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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 13 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-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
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 TAS1R3 4722/4885TAS1R1 4534/4885TAS1R2 4705/4885
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC TAS1R3 4722/4885TAS1R1 4534/4885TAS1R2 4705/4885
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC TAS1R3 4722/4885TAS1R1 4534/4885TAS1R2 4705/4885

“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.