SCHEMBL18423488

SCHEMBL18423488

Cc1nc(C(F)(F)F)n2cc(C(=O)O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.37
▸ TEAD1 P28347 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ TEAD2 Q15562 1/20 0.36
▸ TEAD3 Q99594 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HCAR3 P49019 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALPG P10696 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL30864256 0.83 HSD17B10 (0.43) TDP1HSD17B10HTTHPGDBRD4
SCHEMBL30204418 0.78 HSD17B10 (0.40) RXRATDP1TEAD1TEAD4TEAD2
SCHEMBL370308 0.75 SMN1; SMN2 (0.41) RXRATDP1HSD17B10HTTHPGD
SCHEMBL28884909 0.69 KMT2A (0.46) HSD17B10BRD4SMN1; SMN2ALDH1A1
SCHEMBL23937869 0.68 PTPN1 (0.51) HSD17B10HPGDALDH1A1
SCHEMBL19127320 0.68 ROCK2 (0.42) TDP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31569283 0.67 PRMT6 (0.31) CYP1A2
SCHEMBL30204533 0.67 KDM4E (0.48) TDP1HPGDBRD4ALDH1A1
SCHEMBL24593 0.66 ALPG (0.46) TDP1HPGDBRD4SMN1; SMN2CYP1A2
SCHEMBL23168586 0.65 RXRA (0.51) RXRATDP1HSD17B10HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — US 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-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 RXRA 4665/4885TDP1 3331/4885TEAD1 3987/4885

“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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