SCHEMBL18151589

SCHEMBL18151589

CCC(O)(c1ccc(NC(=O)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.57
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL18151716 0.92 RORC (0.55) RORCMAPTTSHRMEN1CYP1A2
SCHEMBL18151186 0.90 RORC (0.53) RORCMAPTTSHRMEN1CYP1A2
SCHEMBL18151492 0.89 RORC (0.52) RORCMAPTTSHRMEN1CYP1A2
SCHEMBL18151510 0.88 RORC (0.56) RORCMAPTTSHRMEN1CYP1A2
SCHEMBL18151197 0.88 RORC (0.67) RORCMAPTTSHRMEN1CYP1A2
SCHEMBL18151718 0.87 MAPT (0.52) RORCMAPTMEN1CYP1A2CYP3A4
SCHEMBL18151202 0.87 MAPT (0.54) RORCMAPTMEN1CYP1A2CYP3A4
SCHEMBL18151763 0.85 RORC (0.56) RORCMAPTTSHRMEN1CYP1A2
SCHEMBL18151488 0.85 RORC (0.64) RORC
SCHEMBL18151422 0.84 POLB (0.53) RORCMAPTTSHRMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP claimed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US claimed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US claimed
EP-3077372-B1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING BV (NL) 2019-02-06 EP disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 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-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB RORC 1/4885MAPT 4664/4885TSHR 167/4885

“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.