SCHEMBL18197243

SCHEMBL18197243

COC(=O)C1CCc2cc(C(O)(CF)C(F)(F)F)ccc2N1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.43
▸ IGF1R P08069 1/20 0.40
▸ LMNA P02545 1/20 0.32
▸ RORC P51449 4/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NQO2 P16083 3/20 0.31
▸ MTNR1A P48039 3/20 0.31
▸ MTNR1B P49286 3/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ULK1 O75385 1/20 0.31

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
SCHEMBL16564686 0.86 GAA (0.46) GAAIGF1RRORC
SCHEMBL431492 0.77 TRPV1 (0.41) IGF1RKMT2A
SCHEMBL30358011 0.76 IGF1R (0.46) IGF1RLMNAALDH1A1TP53CYP1A2
SCHEMBL18197189 0.74 NOD2 (0.35) GAARORCMTNR1A
SCHEMBL30358050 0.74 IGF1R (0.46) IGF1RALDH1A1TP53CYP1A2HPGD
SCHEMBL3893061 0.74 IGF1R (0.46) IGF1RALDH1A1TP53CYP1A2HPGD
SCHEMBL30357998 0.74 IGF1R (0.46) IGF1RALDH1A1TP53CYP1A2HPGD
SCHEMBL7335768 0.74 ALDH1A1 (0.51) IGF1RALDH1A1TP53CYP1A2HPGD
SCHEMBL30358032 0.74 ALDH1A1 (0.51) IGF1RALDH1A1TP53CYP1A2HPGD
SCHEMBL926907 0.70 SMYD3 (0.56) GAAIGF1RALDH1A1CYP1A2HPGD

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-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-20160318870-A1 RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-03 — — 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-20160318870-A1 RORy MODULATORS RORB, RORC, RORA GAA 2554/4885IGF1R 2843/4885LMNA 4329/4885

“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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