SCHEMBL22600284

SCHEMBL22600284

CC(C)c1cncc(C[C@H](C)c2cccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ HRH2 P25021 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CACNA2D1 P54289 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL21282958 0.84 CYP11B1 (0.38) TSHRCYP3A4CACNA2D1
SCHEMBL21076611 0.77 ESR1 (0.37) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL22895111 0.77 NR3C2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL12120613 0.72 GABRA1 (0.33) TSHRLMNAALOX5RAB9A
SCHEMBL23569860 0.72 CYP3A4 (0.36) TSHRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL18811782 0.71 ESR1 (0.37) TSHRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL23758345 0.70 ALDH1A1 (0.34) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL18763535 0.70 LMNA (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL23758353 0.69 CYP3A4 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19831132 0.69 GPR55 (0.35) GPR55SMN1; SMN2ALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 — — US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 — — 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 (2 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 TSHR 1697/4885CYP3A4 558/4885CYP2D6 2498/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 TSHR 1697/4885CYP3A4 558/4885CYP2D6 2498/4885

“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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