SCHEMBL3060107

SCHEMBL3060107

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ EPHX2 P34913 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
SCHEMBL29401235 1.00 CASP3 (0.46) CASP3PIN1KMT2APOLBCYP3A4
SCHEMBL29692865 0.91 CASP3 (0.47) CASP3PIN1KMT2APOLBEPHX2
SCHEMBL3070048 0.90 CASP3 (0.52) CASP3PIN1KMT2AEPHX2
SCHEMBL29401786 0.90 CASP3 (0.52) CASP3PIN1KMT2AEPHX2
SCHEMBL29368798 0.90 CASP3 (0.52) CASP3PIN1KMT2AEPHX2
SCHEMBL30656017 0.90 CASP3 (0.52) CASP3PIN1KMT2AEPHX2
SCHEMBL5706475 0.89 CASP3 (0.47) CASP3PIN1KMT2AEPHX2
SCHEMBL14019298 0.87 POLB (0.51) CASP3PIN1KMT2APOLBCYP3A4
SCHEMBL31546599 0.87 POLB (0.51) CASP3PIN1KMT2APOLBCYP3A4
SCHEMBL3210403 0.85 CASP3 (0.49) CASP3PIN1KMT2ACYP3A4CYP2D6

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-7662782-B2 Melanocortin 1 receptor selective compounds ACTION PHARMA A/S (DK) 2010-02-16 — — US disclosed
US-20070027086-A1 Melanocortin 1 receptor selective compounds SZARDENINGS MICHAEL 2007-02-01 — — US disclosed
EP-1075492-B1 MELANOCORTIN 1 RECEPTOR SELECTIVE COMPOUNDS ACTION PHARMA AS (DK) 2006-07-19 — — EP disclosed
US-7008925-B1 Melanocortin 1 receptor selective compounds ACTION PHARMA A/S (DK) 2006-03-07 — — US disclosed
EP-1075492-A1 MELANOCORTIN 1 RECEPTOR SELECTIVE COMPOUNDS Wa Pharm AB (SE) 2001-02-14 — — EP disclosed
WO-1999057148-A1 MELANOCORTIN 1 RECEPTOR SELECTIVE COMPOUNDS WA PHARM AB (SE) 1999-11-11 — — 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-20070027086-A1 Melanocortin 1 receptor selective compounds MC5R, MC1R, MC2R CASP3 4875/4885PIN1 3095/4885KMT2A 2343/4885

“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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