SCHEMBL25211145

SCHEMBL25211145

O=c1oc(-c2ccc(O)c(Cl)c2)nc2sccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.46
▸ ESR2 Q92731 7/20 0.46
▸ ELANE P08246 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL30500261 1.00 ESR1 (0.46) ESR1ESR2ELANEKDM4EALDH1A1
SCHEMBL30500214 0.80 MAPT (0.60) ESR1ESR2ELANEKDM4EALDH1A1
SCHEMBL25202713 0.80 MAPT (0.60) ESR1ESR2ELANEKDM4EALDH1A1
SCHEMBL4395617 0.75 MAPT (0.61) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL27087469 0.75 ESR2 (0.44) ESR1ESR2KDM4EALDH1A1PTGS2
SCHEMBL29998947 0.75 ESR2 (0.44) ESR1ESR2KDM4EALDH1A1PTGS2
SCHEMBL25202116 0.72 ESR2 (0.42) ESR1ESR2KDM4EALDH1A1PTGS2
SCHEMBL30500299 0.72 ESR2 (0.42) ESR1ESR2KDM4EALDH1A1PTGS2
SCHEMBL25195367 0.71 SMN1; SMN2 (0.65) ELANEKDM4EALDH1A1MEN1KMT2A
SCHEMBL30500265 0.71 SMN1; SMN2 (0.65) ELANEKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-09-07 — — US disclosed
US-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-09-07 — — US disclosed
EP-4185381-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF Inipharm, Inc. (US) 2023-05-31 — — EP 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-20230278978-A1 THIOPHENE HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B1, HSD17B13 ESR1 2477/4885ESR2 1987/4885ELANE 2378/4885

“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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