SCHEMBL10239252

SCHEMBL10239252

CCCCC(CC)COC(=O)CCSc1cc(C(C)=O)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ LMNA P02545 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ RECQL P46063 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ CREBBP Q92793 1/20 0.35
▸ ERAP2 Q6P179 2/20 0.35
▸ LNPEP Q9UIQ6 2/20 0.35
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL10239314 0.93 TSHR (0.49) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL1390700 0.90 ALDH1A1 (0.50) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL31260368 0.88 CYP3A4 (0.51) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL10239258 0.84 CYP3A4 (0.46) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL10239305 0.83 CYP3A4 (0.46) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL1391628 0.83 ALDH1A1 (0.49) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL19259759 0.82 CYP3A4 (0.49) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL2196924 0.82 CYP3A4 (0.51) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL1391363 0.82 CYP3A4 (0.44) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL9113053 0.82 CYP3A4 (0.44) TSHRCYP3A4TDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 — — US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 — — US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 — — 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB TSHR 3927/4885CYP3A4 3464/4885TDP1 4400/4885

“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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