SCHEMBL17464720

SCHEMBL17464720

O=S(=O)(c1ccc(F)cc1)N1CCCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
HTR2B P41595 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
ROCK2 O75116 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL17458574 0.97 ALDH1A1 (0.41) CYP19A1KDM4ELMNAALDH1A1HPGD
SCHEMBL17458532 0.91 HTR6 (0.41) LMNAALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL17458587 0.88 LMNA (0.40) LMNAALDH1A1ATMGAAMAPT
SCHEMBL17458593 0.88 HTR6 (0.44) LMNAALDH1A1HTR2BL3MBTL1
SCHEMBL17458529 0.87 HTR2A (0.43) SMN1; SMN2HTR2AHTR2CROCK2MEN1
SCHEMBL17458582 0.87 TP53 (0.38) LMNAATMHTR2BMEN1MAPT
SCHEMBL17458566 0.87 THRB (0.47) CYP2C19KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17464741 0.87 LRRK2 (0.43) CYP2C19ATMROCK2
SCHEMBL17464712 0.87 HTR6 (0.42) ATMHTR2B
SCHEMBL17464715 0.86 MTOR (0.39) CYP2C19ATMROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US disclosed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 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-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RXRA CYP19A1 407/4885CYP3A4 2166/4885CYP2C19 2473/4885

“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.