SCHEMBL6850245

SCHEMBL6850245

CCCCCSN(C=O)SCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
ADH1C P00326 3/20 0.38
ADH1A P07327 3/20 0.38
ADH4 P08319 2/20 0.38
ADH1B P00325 2/20 0.37
ADH7 P40394 2/20 0.37
EPHX1 P07099 1/20 0.37
THRB P10828 2/20 0.37
CES2 O00748 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL871631 0.97 TSHR (0.44) TSHRADH1CADH1AADH4ADH1B
SCHEMBL4601980 0.97 TSHR (0.44) TSHRADH1CADH1AADH4ADH1B
SCHEMBL28319692 0.72
Hexane SCHEMBL913216 0.71 TSHR (0.60) TSHRADH1CADH1AADH4ADH1B
SCHEMBL28832704 0.70 TSHR (0.44) TSHRTHRBCES2CTSLCTSB
SCHEMBL9887861 0.70
SCHEMBL28407024 0.70 TSHR (0.44) TSHRTHRBCES2CTSLCTSB
SCHEMBL1016347 0.70
SCHEMBL27255307 0.70 TSHR (0.44) TSHRTHRBCES2CTSLCTSB
SCHEMBL6850241 0.70 CES2 (0.34) TSHREPHX1THRBCES2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
EP-0052842-B1 N,N-DIARYL CARBAMOYL FLUORIDES, PROCESS FOR PREPARING THEM AND THEIR USE IN THE PREPARATION OF UREAS, AND THE UREAS OBTAINED THEREBY BAYER AG (DE) 1985-09-18 EP disclosed
EP-0052842-A2 N,N-diaryl carbamoyl fluorides, process for preparing them and their use in the preparation of ureas, and the ureas obtained thereby BAYER AG (DE) 1982-06-02 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 TSHR 2490/4885ADH1C 89/4885ADH1A 98/4885

“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.