SCHEMBL4479342

SCHEMBL4479342

CCC(C(=O)O)c1ccc(S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.50
AKR1C2 P52895 12/20 0.50
PTGS1 P23219 2/20 0.50
AKR1C1 Q04828 2/20 0.50
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.42
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
Ethylene Glycol SCHEMBL29182965 0.94 AKR1C3 (0.46) AKR1C3AKR1C2PTGS1AKR1C1HTR1A
SCHEMBL1574429 0.89 AKR1C3 (0.58) AKR1C3AKR1C2PTGS1AKR1C1HTR1A
SCHEMBL510548 0.82 ALDH1A1 (0.56) AKR1C3AKR1C2PTGS1AKR1C1HTR1A
SCHEMBL7705115 0.82 ALDH1A1 (0.56) AKR1C3AKR1C2PTGS1AKR1C1HTR1A
SCHEMBL819392 0.82 LMNA (0.61) AKR1C3AKR1C2PTGS1AKR1C1HTR1A
SCHEMBL65737 0.81 LMNA (0.59) HTR1AADRA1AALDH1A1GAALMNA
SCHEMBL67237 0.81 LMNA (0.59) HTR1AADRA1AALDH1A1GAALMNA
SCHEMBL20769804 0.81 LMNA (0.59) HTR1AADRA1AALDH1A1GAALMNA
SCHEMBL1715 0.81 LMNA (0.59) HTR1AADRA1AALDH1A1GAALMNA
SCHEMBL29757088 0.81 LMNA (0.59) HTR1AADRA1AALDH1A1GAALMNA

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
US-4826888-A STORAGE STABLE, DISCOLORATION INHIBITION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-02 US claimed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-5047442-A Photopolymerizable composition based on a vinyl compound, a sulfur-containing compound and an alpha-diketone MITSUBISHI RAYON COMPANY LIMITED (JP) 1991-09-10 US disclosed
EP-0201903-B1 PHOTOPOLYMERIZABLE COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1991-08-07 EP disclosed
US-4826888-A STORAGE STABLE, DISCOLORATION INHIBITION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-02 US disclosed
US-4777190-A Photopolymerizable composition based on a vinyl compound, a sulfur-containing compound and an α-diketone MITSUBISHI RAYON COMPANY LIMITED (JP) 1988-10-11 US disclosed
EP-0201903-A2 Photopolymerizable composition MITSUBISHI RAYON CO., LTD. (JP) 1986-11-20 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-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 AKR1C3 921/4885AKR1C2 590/4885PTGS1 838/4885

“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.