SCHEMBL18928639

SCHEMBL18928639

CCC(C)c1ccc(F)cc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
RORC P51449 1/20 0.37
CASP1 P29466 1/20 0.35
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.32
PDE2A O00408 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
MC4R P32245 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL16442476 0.85 ALDH1A1 (0.36) TSHRMAPK1PTGS1PTGS2
SCHEMBL22271746 0.84 TSHR (0.39) TSHRRORCPKMPTGS1PTGS2
SCHEMBL12172686 0.84 TSHR (0.39) TSHRRORCPKMPTGS1PTGS2
SCHEMBL24631600 0.82 TAAR1 (0.36)
SCHEMBL9284758 0.82 TLR8 (0.35) PTGS1PTGS2
SCHEMBL20685575 0.82 NISCH (0.37) TSHRRORCPDE2A
SCHEMBL7881747 0.82 TLR8 (0.35) PTGS1PTGS2
SCHEMBL12686652 0.82 MC4R (0.41) TSHRRORCPKMPDE2AMC4R
SCHEMBL12686634 0.82 MC4R (0.41) TSHRRORCPKMPDE2AMC4R
SCHEMBL25974967 0.82 MC4R (0.41) TSHRRORCPKMPDE2AMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 US disclosed
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-04 US disclosed
US-10189795-B2 Aryl amine substituted quinoxaline used as anticancer drugs Chen, Kuen-Feng (TW) 2019-01-29 US disclosed
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
US-20170204071-A1 ARYL AMINE SUBSTITUTED QUINOXALINE USED AS ANTICANCER DRUGS SHIAU, CHUNG-WAI (TW) 2017-07-20 US disclosed
EP-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP 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 (5 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-10189795-B2 Aryl amine substituted quinoxaline used as anticancer drugs CIP2A, PPP2CA, PPM1A TSHR 3848/4885RORC 4387/4885CASP1 3772/4885
US-20180111937-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF TNF, TNFRSF1A, TNFRSF9 TSHR 125/4885RORC 444/4885CASP1 466/4885
US-20170204071-A1 ARYL AMINE SUBSTITUTED QUINOXALINE USED AS ANTICANCER DRUGS CIP2A, PPP2CA, PPM1A TSHR 3848/4885RORC 4387/4885CASP1 3772/4885
US-10308652-B2 Tricyclic heterocyclic compounds useful as inhibitors of TNF TNF, TNFRSF1A, TNFRSF9 TSHR 125/4885RORC 444/4885CASP1 466/4885
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TSHR 102/4885RORC 316/4885CASP1 4853/4885

“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.