SCHEMBL21935171

SCHEMBL21935171

CNc1ccc2oc(C(F)(F)F)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPD1 P10809 3/20 0.41
▸ HSPE1 P61604 3/20 0.41
▸ ELANE P08246 3/20 0.40
▸ PTPN2 P17706 6/20 0.39
▸ PTPN1 P18031 6/20 0.39
▸ PTPN5 P54829 6/20 0.39
▸ EGFR P00533 1/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ AGPAT2 O15120 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
SCHEMBL24782960 0.83 RAB9A (0.40) HSPD1HSPE1EGFRNPC1RAB9A
SCHEMBL12301096 0.78 ELANE (0.58) ELANENPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8306430 0.76 RAB9A (0.59) NPC1RAB9ASMN1; SMN2STAT1L3MBTL1
SCHEMBL20502744 0.75 RAB9A (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL24251875 0.75 ELANE (0.40) ELANENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30082485 0.75 ELANE (0.40) ELANENPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23432611 0.74 EGFR (0.38) HSPD1HSPE1EGFRNPC1RAB9A
SCHEMBL23055619 0.72 PIK3CA (0.44) PTPN5EGFRNPC1RAB9ASMN1; SMN2
SCHEMBL21646441 0.72 RAB9A (0.44) HSPD1HSPE1PTPN2PTPN1PTPN5
SCHEMBL8120887 0.72 GAA (0.52) PTPN5EGFRNPC1RAB9ASMN1; 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-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 HSPD1 738/4885HSPE1 1169/4885ELANE 169/4885
US-20200131157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC3 HSPD1 773/4885HSPE1 1241/4885ELANE 178/4885

“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.

Send feedback