SCHEMBL22696748

SCHEMBL22696748

CC1(C)Cc2c(sc(NC(O)c3ccccc3)c2C(=O)O)C(C)(C)O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 18/20 0.53
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL21250161 0.82 SMN1; SMN2 (0.65) CFTRMEN1KMT2AKDM4ENPC1
SCHEMBL21260747 0.81 CFTR (0.41) CFTRALDH1A1MAPTSMN1; SMN2
SCHEMBL21260703 0.78 CFTR (0.54) CFTR
SCHEMBL20468190 0.78 CFTR (0.69) CFTR
SCHEMBL21018758 0.76 CFTR (0.55) CFTR
SCHEMBL21248056 0.72 CFTR (0.59) CFTRALDH1A1MAPTSMN1; SMN2
SCHEMBL22680997 0.71 MAPT (0.44) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL22686816 0.70 CFTR (0.50) CFTRALDH1A1
SCHEMBL21247367 0.70 CFTR (0.52) CFTRMEN1KMT2AKDM4ENPC1
SCHEMBL20468243 0.69 CFTR (0.53) CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 — — 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-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH CFTR 2739/4885MEN1 3538/4885KMT2A 3454/4885

“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