SCHEMBL7139089

SCHEMBL7139089

CC(=Cc1ccc(C(=O)O)cc1)[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.68
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C19 P33261 2/20 0.60
MEN1 O00255 1/20 0.60
JAK2 O60674 1/20 0.60
MITF O75030 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
NTSR1 P30989 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
POLB P06746 2/20 0.58
GLA P06280 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
EGFR P00533 3/20 0.57
ABL1 P00519 1/20 0.56
ABL2 P42684 1/20 0.56

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
SCHEMBL7139086 1.00 FBP1 (0.68) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL7139084 1.00 FBP1 (0.68) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL30094390 0.85 FBP1 (0.55) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL3605335 0.81 FBP1 (0.57) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL3605327 0.81 FBP1 (0.57) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL3605332 0.81 FBP1 (0.57) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL1032131 0.81 FBP1 (1.00) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL1127238 0.81 FBP1 (1.00) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL1749791 0.81 FBP1 (1.00) FBP1ALDH1A1KMT2ALMNACYP1A2
SCHEMBL3922572 0.80 FBP1 (0.65) FBP1ALDH1A1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061762-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-03-04 US disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4493843-A Indole and indoline carboxylic acid compounds and method of use MAY & BAKER LIMITED (GB) 1985-01-15 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0042298-B1 INDOLE AND INDOLINE DERIVATIVES MAY & BAKER LIMITED (GB) 1984-09-12 EP disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0042298-A1 Indole and indoline derivatives MAY & BAKER LIMITED (GB) 1981-12-23 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 FBP1 2082/4885ALDH1A1 1400/4885KMT2A 4510/4885
US-20210061762-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A FBP1 616/4885ALDH1A1 1211/4885KMT2A 161/4885

“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.