SCHEMBL21607458

SCHEMBL21607458

CCOC(=O)c1cc(-c2ccc(Br)cc2OC(F)F)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
SMAD3 P84022 2/20 0.41
APAF1 O14727 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
KDM1A O60341 1/20 0.39
ESR1 P03372 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
PTGER1 P34995 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
SCHEMBL21607426 0.88 FAAH (0.41) FAAHSMAD3APAF1SMN1; SMN2ALDH1A1
SCHEMBL17319167 0.87 MMP2 (0.44) FAAHSMAD3APAF1SMN1; SMN2ALDH1A1
SCHEMBL21607546 0.86 SMAD3 (0.38) FAAHSMAD3APAF1SMN1; SMN2ALDH1A1
SCHEMBL21607589 0.86 KDM1A (0.38) SMAD3APAF1SMN1; SMN2ALDH1A1KDM1A
SCHEMBL15884059 0.85 FAAH (0.41) FAAHSMAD3APAF1SMN1; SMN2ALDH1A1
SCHEMBL21607649 0.85 RORC (0.37) FAAHSMAD3APAF1SMN1; SMN2ALDH1A1
SCHEMBL21607622 0.84 ALDH1A1 (0.36) SMAD3APAF1SMN1; SMN2ALDH1A1KDM1A
SCHEMBL15868151 0.83 SMN1; SMN2 (0.45) FAAHSMAD3APAF1SMN1; SMN2ALDH1A1
SCHEMBL21607527 0.82 NR1H2 (0.38) SMAD3APAF1SMN1; SMN2ALDH1A1KDM1A
SCHEMBL21605639 0.81 FAAH (0.41) FAAHSMN1; SMN2ALDH1A1MMP2MMP13

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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA FAAH 3765/4885SMAD3 1372/4885APAF1 3565/4885

“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.