SCHEMBL6580482

SCHEMBL6580482

CCOC(=O)C1(CCCCSC)CCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY1R P25929 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
SCHEMBL6582646 0.95 KMT2A (0.45) KMT2AMEN1CYP4F2CYP4A11LMNA
SCHEMBL6628381 0.84 CYP4F2 (0.61) KMT2AMEN1CYP4F2CYP4A11ALDH1A1
SCHEMBL22098179 0.82 CYP4F2 (0.63) KMT2AMEN1CYP4F2CYP4A11LMNA
SCHEMBL8071102 0.82 CYP4F2 (0.45) KMT2AMEN1CYP4F2CYP4A11LMNA
SCHEMBL186204 0.81 CYP4F2 (0.45) KMT2AMEN1CYP4F2CYP4A11LMNA
SCHEMBL1106769 0.81 CYP4F2 (0.45) KMT2AMEN1CYP4F2CYP4A11LMNA
SCHEMBL187550 0.81 CYP4F2 (0.45) KMT2AMEN1CYP4F2CYP4A11LMNA
SCHEMBL6582287 0.81 CYP4F2 (0.66) KMT2AMEN1CYP4F2CYP4A11ALDH1A1
SCHEMBL186582 0.81 CYP4F2 (0.45) KMT2AMEN1CYP4F2CYP4A11LMNA
SCHEMBL798044 0.79 CYP4F2 (0.53) KMT2AMEN1CYP4F2CYP4A11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154993-B1 THIOAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-6479666-B2 ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2002-11-12 US disclosed
US-6458844-B2 ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-10-01 US disclosed
US-6426348-B1 FOR THERAPY OF INFLAMMATION ASSOCIATED WITH CHRONIC INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS (RA), MULTIPLE SCLEROSIS, (MS), ASTHMA, AND INFLAMMATORY BOWEL DISEASE (I BD) HOFFMANN-LA ROCHE INC. 2002-07-30 US disclosed
US-6423728-B1 INHIBIT BINDING OF VASCULAR CELL ADHESION MOLECULE-1 (VCAM-1) TO THE INTEGRIN VLA-4; USE AS ANTIINFLAMMATORY AGENTS AGAINST RHEMATOID ARTHRITIS, MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE AND ASTHMA HOFFMAN-LA ROCHE INC. 2002-07-23 US disclosed
US-20020052508-A1 Heterocyclic thioamide derivatives HULL KENNETH G (US) 2002-05-02 US disclosed
US-20020040148-A1 Diphenyl heterocyclic thioamide derivatives HULL KENNETH G (US) 2002-04-04 US disclosed
US-20020028933-A1 Thioamide derivatives HULL KENNETH GREGORY (US) 2002-03-07 US disclosed
US-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES HULL KENNETH G (US) 2002-01-24 US disclosed
EP-1154993-A1 THIOAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-21 EP disclosed
US-20010041799-A1 Diephenyl carbocyclic thioamide derivatives HULL KENNETH G (US) 2001-11-15 US disclosed
US-6288267-B1 AROMATIC CARBOXY THIOAMIDES WITH AMIDES AS DRUGS TO COUNTERACT INFLAMMATION HOFFMANN-LA ROCHE INC. 2001-09-11 US disclosed
WO-2000048994-A1 THIOAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-08-24 WO 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 (5 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-20020028933-A1 Thioamide derivatives VCAM1, ICAM1, LTB4R KMT2A 1104/4885MEN1 4163/4885CYP4F2 589/4885
US-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES VCAM1, ICAM1, KCNA4 KMT2A 275/4885MEN1 4461/4885CYP4F2 1188/4885
US-20020040148-A1 Diphenyl heterocyclic thioamide derivatives VCAM1, ICAM1, LTB4R KMT2A 1148/4885MEN1 4244/4885CYP4F2 665/4885
US-20010041799-A1 Diephenyl carbocyclic thioamide derivatives VCAM1, ICAM1, LTB4R KMT2A 1171/4885MEN1 4115/4885CYP4F2 693/4885
US-20020052508-A1 Heterocyclic thioamide derivatives VCAM1, ICAM1, LTB4R KMT2A 603/4885MEN1 3815/4885CYP4F2 514/4885

“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.