SCHEMBL10962779

SCHEMBL10962779

COc1cc2c(cc1S(C)(=O)=O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ SLC2A1 P11166 1/20 0.46
▸ CA7 P43166 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPBWR1 P48145 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTGS2 P35354 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ DHODH Q02127 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
SCHEMBL31525908 0.85 PKM (0.58) SLC2A1CA7ALDH1A1TSHRGAA
SCHEMBL10640095 0.85 PKM (0.58) SLC2A1CA7ALDH1A1TSHRGAA
SCHEMBL10568117 0.84 HTR2C (0.56) SMN1; SMN2CA7TSHR
SCHEMBL10575175 0.84 TRPV4 (0.50) SMN1; SMN2SLC2A1CA7ALDH1A1TSHR
SCHEMBL29652427 0.84 TRPV4 (0.50) SMN1; SMN2SLC2A1CA7ALDH1A1TSHR
SCHEMBL31172537 0.84 PKM (0.56) SMN1; SMN2SLC2A1CA7ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10350988 0.83 MAOA (0.56) SMN1; SMN2CA7TSHRGAAMAPT
Hydrochloric Acid SCHEMBL10350486 0.83 HTR2C (0.54) SMN1; SMN2SLC2A1CA7
SCHEMBL10641792 0.80 TRPV4 (0.50) SMN1; SMN2SLC2A1CA7ALDH1A1TSHR
SCHEMBL10350544 0.78 CA7 (0.45) SMN1; SMN2CA7ALDH1A1GAAHPGD

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-20230174522-A1 Benzisoxazole Sulfonamide Derivatives MONASH UNIVERSITY (AU) 2023-06-08 — — US disclosed
US-20200399258-A1 Benzisoxazole Sulfonamide Derivatives PFIZER INC. 2020-12-24 — — US disclosed
EP-0088346-B1 2-AMINOMETHYL-PHENOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-05 — — EP disclosed
EP-0088346-A2 2-Aminomethyl-phenol derivatives, process for their preparation, their use and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-14 — — 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 (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-20200399258-A1 Benzisoxazole Sulfonamide Derivatives BRIX1, RB1, BCR SMN1; SMN2 860/4885SLC2A1 3093/4885CA7 659/4885
US-20230174522-A1 Benzisoxazole Sulfonamide Derivatives BRIX1, RB1, BCR SMN1; SMN2 941/4885SLC2A1 3248/4885CA7 629/4885

“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