SCHEMBL26812955

SCHEMBL26812955

COc1ncccc1S(=O)(=O)Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR39 O43194 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ EDNRA P25101 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL26812913 0.85 ACLY (0.48) GPR39TDP1MAPK1MAPTSMN1; SMN2
SCHEMBL26810825 0.81 TSHR (0.51) GPR39PTGES2SMN1; SMN2TSHRKDM4E
SCHEMBL26813002 0.80 GPR39 (0.53) GPR39TDP1MAPK1MAPTSMN1; SMN2
SCHEMBL24310225 0.80 MAPT (0.52) GPR39TDP1MAPK1MAPTSMN1; SMN2
SCHEMBL29567152 0.80 TDP1 (0.50) GPR39TDP1MAPK1MAPTSMN1; SMN2
SCHEMBL24309652 0.80 TDP1 (0.50) GPR39TDP1MAPK1MAPTSMN1; SMN2
SCHEMBL26813034 0.79 MAPT (0.57) TDP1MAPK1MAPTSMN1; SMN2TSHR
SCHEMBL26813005 0.79 MAPT (0.56) GPR39TDP1MAPK1MAPTSMN1; SMN2
SCHEMBL24310185 0.78 PGR (0.58) TDP1MAPK1MAPTSMN1; SMN2TSHR
SCHEMBL26806813 0.78 MAPT (0.61) GPR39TDP1MAPK1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GPR39 454/4885TDP1 4534/4885MAPK1 3810/4885

“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