SCHEMBL5697498

SCHEMBL5697498

CS(=O)(=O)OCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.46
MEN1 O00255 2/20 0.44
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
APP P05067 1/20 0.40
CYP19A1 P11511 1/20 0.40
NR4A2 P43354 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
Water SCHEMBL27454005 0.98 KMT2A (0.47) KMT2AIDO1AGXTCA2CA9
SCHEMBL4952656 0.89 CA2 (0.58) KMT2AAGXTCA2CA9CA1
SCHEMBL1109812 0.83 KMT2A (0.42) KMT2AIDO1AGXTCA2CA9
SCHEMBL19845815 0.83 CA2 (0.52) KMT2AIDO1AGXTCA2CA9
SCHEMBL6213294 0.83 CA2 (0.52) KMT2AIDO1AGXTCA2CA9
SCHEMBL4662063 0.81 CA2 (0.50) KMT2ACA2CA9CA1ALDH1A1
SCHEMBL18030113 0.81 CA2 (0.68) KMT2AIDO1AGXTCA2CA9
SCHEMBL6362143 0.81 KMT2A (0.50) KMT2AIDO1AGXTCA2CA9
SCHEMBL1284072 0.80 CA1 (0.43) KMT2ACA2CA9CA1MEN1
SCHEMBL11027775 0.80 IDO1 (0.55) KMT2AIDO1CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 US disclosed
WO-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 WO disclosed
EP-1000933-B1 TRIFLUORO METHYLTHIOMETHYL BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME IHARA CHEMICAL IND CO (JP) 2006-08-02 EP disclosed
US-6225505-B1 BY REACTING BENZYL HALIDE DERIVATIVE WITH THIOPHOSGENE AND POTASSIUM FLUORIDE IN ACETONITRILE; HIGH YIELD AND PURITY WITHOUT USING OZONE LAYER-DESTROYING SUBSTANCE; USE AS INTERMEDIATE FOR DRUGS AND AGROCHEMICALS IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2001-05-01 US disclosed
EP-1000933-A1 TRIFLUORO METHYLTHIOMETHYL BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Ihara Chemical Industry Co., Ltd. (JP) 2000-05-17 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO KMT2A 4325/4885IDO1 3862/4885AGXT 2280/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO KMT2A 4325/4885IDO1 3862/4885AGXT 2280/4885

“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.