SCHEMBL26810994

SCHEMBL26810994

O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2cccnc2C(F)(F)F)n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR39 O43194 1/20 0.47
▸ SLC40A1 Q9NP59 8/20 0.44
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ AR P10275 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ NFKBIA P25963 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ GLO1 Q04760 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL26811119 0.84 SCN9A (0.44) GPR39SLC40A1BLMSMN1; SMN2TSHR
SCHEMBL26810825 0.82 TSHR (0.51) GPR39SLC40A1SMN1; SMN2TSHRKDM4E
SCHEMBL26810791 0.80 GPR39 (0.45) GPR39SLC40A1BLMSMN1; SMN2TSHR
SCHEMBL26811084 0.80 MAPT (0.50) GPR39SMN1; SMN2TSHRKDM4ELMNA
SCHEMBL26811066 0.80 GPR39 (0.45) GPR39SLC40A1SMN1; SMN2TSHRKDM4E
SCHEMBL26810785 0.79 TSHR (0.48) GPR39SMN1; SMN2TSHRPGRATM
SCHEMBL26810957 0.79 TSHR (0.54) GPR39SMN1; SMN2TSHRKDM4ELMNA
SCHEMBL26810953 0.79 TSHR (0.48) GPR39SMN1; SMN2TSHRKDM4ELMNA
SCHEMBL26811053 0.79 TSHR (0.48) GPR39SMN1; SMN2TSHRKDM4ELMNA
SCHEMBL26806813 0.78 MAPT (0.61) GPR39SMN1; SMN2TSHRKDM4ELMNA

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 454/4885SLC40A1 935/4885BLM 284/4885

“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.

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