SCHEMBL7366077

SCHEMBL7366077

Cc1ccc(S(=O)(=O)O[C@@H](C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
TDP1 Q9NUW8 2/20 0.39
XBP1 P17861 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GAA P10253 3/20 0.36
MMP13 P45452 2/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP24A1 Q07973 1/20 0.35

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
SCHEMBL7412821 1.00 KMT2A (0.41) KMT2AALDH1A1MEN1TDP1XBP1
SCHEMBL6154518 0.85 KMT2A (0.40) KMT2AALDH1A1MEN1TDP1XBP1
SCHEMBL323735 0.83 KMT2A (0.45) KMT2AALDH1A1MEN1TDP1CA1
SCHEMBL1990105 0.83 KMT2A (0.45) KMT2AALDH1A1MEN1TDP1CA1
SCHEMBL323736 0.83 KMT2A (0.45) KMT2AALDH1A1MEN1TDP1CA1
SCHEMBL29364700 0.83 KMT2A (0.45) KMT2AALDH1A1MEN1TDP1CA1
SCHEMBL2081536 0.81 KMT2A (0.47) KMT2AALDH1A1MEN1CA1CA2
SCHEMBL2325747 0.81 KMT2A (0.47) KMT2AALDH1A1MEN1CA1CA2
SCHEMBL7587366 0.81 KMT2A (0.47) KMT2AALDH1A1MEN1CA1CA2
SCHEMBL28602090 0.81 KMT2A (0.39) KMT2AALDH1A1MEN1TDP1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-5015641-A Dipeptide for vision defects ANDREWS DAVID R (US) 1991-05-14 US disclosed
EP-0236307-B1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1991-04-17 EP disclosed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 US disclosed
EP-0195817-B1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1989-10-18 EP disclosed
US-4840772-A KIT WITH CONTAINERS OF AGENT TO REDUCE INTRAOCULAR PRESSURE AND ANTIINFLAMMATORY STEROID OR BETA-BLOCKER SCHERING CORPORATION (US) 1989-06-20 US disclosed
US-4826816-A Antihypertensive compounds SCHERING CORPORATION (US) 1989-05-02 US disclosed
US-4783444-A SUBSTITUTED DIPEPTIDES SCHERING CORPORATION (US) 1988-11-08 US disclosed
EP-0236307-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS. SCHERING CORP (US) 1987-09-16 EP disclosed
US-4691049-A Process for preparing a specific diastereomer of a monoamino dicarboxylic acid ester SCHERING CORPORATION (US) 1987-09-01 US disclosed
WO-1987001707-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1987-03-26 WO disclosed
US-4634698-A TOPICAL HYPOTENSIVES SCHERING CORPORATION (US) 1987-01-06 US disclosed
EP-0195817-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SCHERING CORP (US) 1986-10-01 EP disclosed
US-4584285-A Antihypertensive agents SCHERING CORPORATION (US) 1986-04-22 US disclosed
WO-1986001803-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-03-27 WO disclosed
US-4556655-A TREATMENT OF CARDIOVASCULAR DISORDERS AND GLAUCOMA SCHERING CORPORATION (US) 1985-12-03 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 KMT2A 2974/4885ALDH1A1 944/4885MEN1 2554/4885

“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.