SCHEMBL3585844

SCHEMBL3585844

CC(C)NCc1cc(C(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.45
▸ TACR1 P25103 2/20 0.44
▸ MLYCD O95822 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEP1B Q16820 4/20 0.41
▸ CCR2 P41597 5/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ CES2 O00748 1/20 0.40

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
SCHEMBL3006384 0.83 MRGPRX4 (0.48) MRGPRX4TACR1MLYCDPPARAMTOR
SCHEMBL3585318 0.82 NOTUM (0.45) NPSR1
SCHEMBL14569541 0.82 IDO1 (0.47) TACR1MLYCDCCR2MTOR
SCHEMBL18252816 0.80 FFAR1 (0.47) TACR1CCR2PPARA
SCHEMBL17897037 0.78 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL18252827 0.77 PTGDR (0.43) TACR1PPARARXRARXRBRXRG
SCHEMBL14438263 0.76 CYP3A4 (0.43) TACR1CCR2MTOR
SCHEMBL18252826 0.76 ALDH1A1 (0.41) TACR1CCR2MTOR
SCHEMBL27761970 0.76 RXRA (0.53) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL24229573 0.75 ALDH1A1 (0.41) TACR1CCR2MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 — — US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 — — US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 — — US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 — — US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 — — US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 — — US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 — — EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 — — 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 (1 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK MRGPRX4 3392/4885TACR1 2086/4885MLYCD 3197/4885

“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.

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