SCHEMBL16564686

SCHEMBL16564686

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ IGF1R P08069 1/20 0.42
▸ RORC P51449 17/20 0.39
▸ NR1H3 Q13133 3/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1I2 O75469 3/20 0.36

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
SCHEMBL18197243 0.86 GAA (0.43) GAAIGF1RRORC
SCHEMBL431492 0.80 TRPV1 (0.41) IGF1R
SCHEMBL30358011 0.80 IGF1R (0.46) IGF1R
SCHEMBL11472931 0.78 AR (0.42) GAARORCNR1H3NR1H2NR1I2
SCHEMBL30358050 0.77 IGF1R (0.46) IGF1R
SCHEMBL3893061 0.77 IGF1R (0.46) IGF1R
SCHEMBL30357998 0.77 IGF1R (0.46) IGF1R
SCHEMBL7335768 0.77 ALDH1A1 (0.51) IGF1R
SCHEMBL30358032 0.77 ALDH1A1 (0.51) IGF1R
SCHEMBL7433964 0.74 SMYD3 (0.56) GAAIGF1R

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 4 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-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
WO-2015035278-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-12 — — 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-20160318870-A1 RORy MODULATORS RORB, RORC, RORA GAA 2554/4885IGF1R 2843/4885RORC 2/4885

“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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