SCHEMBL21935232

SCHEMBL21935232

COc1ccccc1-c1cc(C(F)(F)F)nn1-c1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.61
MAPT P10636 9/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
THRB P10828 2/20 0.53
POLB P06746 2/20 0.52
CARM1 Q86X55 3/20 0.51
TP53 P04637 2/20 0.50
KLKB1 P03952 1/20 0.49
PTGS1 P23219 2/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 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
SCHEMBL21935294 0.84 KLKB1 (0.53) PTGS2MAPTSMN1; SMN2THRBTP53
SCHEMBL21879554 0.82 PTGS1 (0.70) PTGS2MAPTSMN1; SMN2THRBPOLB
SCHEMBL30300474 0.78 PTGS2 (0.47) PTGS2MAPTSMN1; SMN2THRBPOLB
SCHEMBL21935285 0.78 CCR1 (0.42) PTGS2MAPTSMN1; SMN2POLBKLKB1
SCHEMBL20502751 0.77 KLKB1 (0.59) MAPTSMN1; SMN2POLBTP53KLKB1
SCHEMBL31420334 0.76 KLKB1 (0.62) PTGS2MAPTSMN1; SMN2THRBPOLB
SCHEMBL21879588 0.76 KLKB1 (0.62) PTGS2MAPTSMN1; SMN2THRBPOLB
SCHEMBL6014008 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL20502210 0.75 KDM4E (0.56) PTGS2MAPTSMN1; SMN2THRBTP53
SCHEMBL21879532 0.75 KLKB1 (0.52) PTGS2MAPTSMN1; SMN2THRBPOLB

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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 US disclosed
EP-3596067-B1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-06-07 EP disclosed
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2020-04-30 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 (2 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 PTGS2 2931/4885MAPT 4663/4885SMN1; SMN2 4800/4885
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC3 PTGS2 2979/4885MAPT 4662/4885SMN1; SMN2 4793/4885

“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.