SCHEMBL21607589

SCHEMBL21607589

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
SMAD3 P84022 2/20 0.37
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SMPD1 P17405 5/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL21607622 0.90 ALDH1A1 (0.36) KDM1ASMAD3APAF1ALDH1A1SMN1; SMN2
SCHEMBL21607426 0.89 FAAH (0.41) KDM1ASMAD3APAF1ALDH1A1SMN1; SMN2
SCHEMBL21607546 0.89 SMAD3 (0.38) KDM1ASMAD3APAF1ALDH1A1SMN1; SMN2
SCHEMBL21607527 0.88 NR1H2 (0.38) KDM1ASMAD3APAF1ALDH1A1SMN1; SMN2
SCHEMBL21607458 0.86 FAAH (0.41) KDM1ASMAD3APAF1ALDH1A1SMN1; SMN2
SCHEMBL21607649 0.86 RORC (0.37) KDM1ASMAD3APAF1ALDH1A1SMN1; SMN2
SCHEMBL21607802 0.82 ALDH1A1 (0.40) KDM1ASMAD3APAF1ALDH1A1SMN1; SMN2
SCHEMBL21607819 0.80 FAAH (0.42) KDM1ASMAD3APAF1ALDH1A1SMN1; SMN2
SCHEMBL21607433 0.77 FAAH (0.44) SMAD3APAF1ALDH1A1SMN1; SMN2NR1H2
SCHEMBL21607427 0.77 FAAH (0.44) SMAD3APAF1ALDH1A1SMN1; SMN2

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 KDM1A 869/4885SMAD3 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.