SCHEMBL18713628

SCHEMBL18713628

CCC(C)c1ccc(Cl)cc1-c1cccc(S(=O)(=O)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
RORC P51449 4/20 0.43
NR1I2 O75469 1/20 0.39
HSD11B1 P28845 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
PGR P06401 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL18713627 0.89 PTGES2 (0.36) BRD4RORCPTGES2PTGDR2PGR
SCHEMBL21164534 0.88 BRD4 (0.44) BRD4RORCNR1I2HSD11B1PTGES2
SCHEMBL20032477 0.84 BRD4 (0.41) BRD4RORCNR1I2HSD11B1PTGES2
SCHEMBL18713960 0.83 CHRM1 (0.38) BRD4CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL18713626 0.80 PTGDR2 (0.40) BRD4RORCPTGES2PTGDR2CYP1A2
SCHEMBL20032156 0.80 MAPT (0.39) ALDH1A1LMNA
SCHEMBL18713646 0.80 MAPT (0.39) ALDH1A1LMNA
SCHEMBL16573992 0.80 BRD4 (0.48) BRD4RORCNR1I2HSD11B1PTGES2
SCHEMBL18713771 0.80 RORC (0.43) RORCHSD11B1PTGES2NR1H2
SCHEMBL18713777 0.79 KIF11 (0.43) BRD4RORCCYP1A2CYP3A4CYP2D6

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-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 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-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A BRD4 2241/4885RORC 300/4885NR1I2 185/4885

“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.