SCHEMBL3907635

SCHEMBL3907635

COCOc1cc(C)cc(CSCC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
POLB P06746 3/20 0.48
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3903640 0.81 CYP1A2 (0.74) CYP1A2POLBALDH1A1HTTLMNA
SCHEMBL10352637 0.80 POLB (0.54) CYP1A2POLBALDH1A1HTTMAPT
SCHEMBL2338533 0.76 CYP1A2 (0.71) CYP1A2POLBALDH1A1HTTLMNA
SCHEMBL3909586 0.74 CYP1A2 (0.50) CYP1A2POLBALDH1A1HTTLMNA
SCHEMBL3903445 0.74 FYN (0.37) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2978585 0.71 ALDH1A1 (0.39) POLBALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8751846 0.71 KMT2A (0.36) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL13224714 0.71 MEN1 (0.33) SMN1; SMN2FFAR1MEN1KMT2A
SCHEMBL2981329 0.71 MEN1 (0.36) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3905547 0.70 CYP1A2 (0.49) CYP1A2POLBALDH1A1HTTLMNA

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-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 CYP1A2 135/4885POLB 3927/4885ALDH1A1 1096/4885

“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.