SCHEMBL7716565

SCHEMBL7716565

Cc1ccc(CSCCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.70
ALDH1A1 P00352 6/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 2/20 0.52
RECQL P46063 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
FFAR1 O14842 1/20 0.49
GAA P10253 1/20 0.47

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
SCHEMBL5180355 0.88 CYP2C19 (0.54) CYP2C19ALDH1A1LMNAPOLBPKM
E388 SCHEMBL11363669 0.86 KMT2A (0.64) CYP2C19ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1477938 0.84 ALDH1A1 (0.54) CYP2C19ALDH1A1LMNAPOLBPKM
SCHEMBL13870215 0.84 FFAR1 (0.56) CYP2C19ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL44801 0.82 CYP2C19 (1.00) CYP2C19ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL20111381 0.82 CYP2C19 (0.66) CYP2C19ALDH1A1LMNAPKMSMN1; SMN2
SCHEMBL23232300 0.81 CYP2C19 (0.70) CYP2C19ALDH1A1LMNAKMT2AHTT
SCHEMBL20393450 0.81 CYP2C19 (0.70) CYP2C19ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8332405 0.81 HTT (0.61) CYP2C19ALDH1A1LMNAPOLBHPGD
SCHEMBL8003157 0.81 CYP2C19 (0.64) CYP2C19ALDH1A1PKMSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029659-A2 Vasopressin analogs, processes for their production and a method of treating mammals Cort, Joseph H. (US) 1981-06-03 EP claimed
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
EP-1218098-A1 MATRICES OF PROBES AND THEIR PREPARATION BEN-GURION UNIVERSITY OF THE NEGEV (IL) 2002-07-03 EP disclosed
WO-2001017670-A1 MATRICES OF PROBES AND THEIR PREPARATION BEN-GURION UNIVERSITY OF THE NEGEV (IL) 2001-03-15 WO disclosed
US-5376635-A A polypeptides as diuretics, hypotensive agents BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-12-27 US disclosed
EP-0283956-B1 FLUORINE CONTAINING ATRIAL NATRIURETIC PEPTIDES BIO-MEGA INC. (CA) 1992-11-11 EP disclosed
US-4829051-A CONTROLLING BLEEDING VEGA LABORATORIES, INC. (US) 1989-05-09 US disclosed
EP-0283956-A2 Fluorine containing atrial natriuretic peptides BIO-MEGA INC. (CA) 1988-09-28 EP disclosed
US-4285858-A ANTIHEMOPHILIC FACTOR; HEMOSTATIC AGENTS; ANTICOAGULANTS AND COAGULANTS MT. SINAI SCHOOL OF MEDICINE OF THE CITY UNIVERSITY OF N.Y. (US) 1981-08-25 US disclosed
EP-0029659-A2 Vasopressin analogs, processes for their production and a method of treating mammals Cort, Joseph H. (US) 1981-06-03 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-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 CYP2C19 536/4885ALDH1A1 1467/4885LMNA 1664/4885

“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.