SCHEMBL6731455

SCHEMBL6731455

[CH2]SCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 2/20 0.53
HSD17B10 Q99714 2/20 0.42
CES2 O00748 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
DNM1 Q05193 7/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC22A1 O15245 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
SCHEMBL5435445 1.00 TSHR (0.53) TSHRTHRBHSD17B10CES2CTSL
SCHEMBL916768 1.00 TSHR (0.53) TSHRTHRBHSD17B10CES2CTSL
SCHEMBL291820 1.00 TSHR (0.53) TSHRTHRBHSD17B10CES2CTSL
SCHEMBL291000 1.00 TSHR (0.53) TSHRTHRBHSD17B10CES2CTSL
SCHEMBL291923 1.00 TSHR (0.53) TSHRTHRBHSD17B10CES2CTSL
SCHEMBL8456972 1.00 TSHR (0.53) TSHRTHRBHSD17B10CES2CTSL
SCHEMBL9149670 1.00 TSHR (0.53) TSHRTHRBHSD17B10CES2CTSL
SCHEMBL290508 1.00
SCHEMBL290726 1.00
SCHEMBL292580 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999014204-A1 SUBSTITUTED 1,2,4-TRIAZOLES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-03-25 WO claimed
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity LEE LEN F (US) 2004-11-04 US disclosed
US-6794396-B2 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-09-21 US disclosed
US-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-02-26 US disclosed
US-6605624-B1 Preventing and/or treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-08-12 US disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 EP disclosed
WO-1999041237-A1 SUBSTITUTED PYRIDINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-08-19 WO disclosed
WO-1999014204-A1 SUBSTITUTED 1,2,4-TRIAZOLES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-03-25 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 (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-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, CES1, MTTP TSHR 3792/4885THRB 2112/4885HSD17B10 107/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT TSHR 3609/4885THRB 1899/4885HSD17B10 101/4885

“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.