SCHEMBL3909586

SCHEMBL3909586

COCOc1cc(CSCC(=O)O)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
HTT P42858 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 3/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
NFKB1 P19838 1/20 0.35
PTPN1 P18031 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
SCHEMBL3902997 0.85 CYP1A2 (0.49) CYP1A2HTTALDH1A1POLBSMN1; SMN2
SCHEMBL3905547 0.85 CYP1A2 (0.49) CYP1A2HTTALDH1A1TSHRPOLB
SCHEMBL334173 0.81 SLC22A12 (0.63) SLC22A12ALDH1A1TSHRFFAR1FFAR4
SCHEMBL11265685 0.77 CYP1A2 (0.61) CYP1A2HTTALDH1A1TSHRSMN1; SMN2
SCHEMBL3903640 0.77 CYP1A2 (0.74) CYP1A2HTTALDH1A1FFAR1POLB
SCHEMBL3915826 0.75 CYP1A2 (0.51) CYP1A2HTTALDH1A1TSHRPOLB
SCHEMBL334082 0.75 SLC22A12 (0.40) HTTSLC22A12TSHRFFAR1FFAR4
SCHEMBL3907635 0.74 CYP1A2 (0.51) CYP1A2HTTALDH1A1TSHRFFAR1
SCHEMBL27118038 0.73 CYP1A2 (0.57) CYP1A2HTTALDH1A1TSHRPOLB
SCHEMBL3902343 0.73 CYP1A2 (0.47) CYP1A2ALDH1A1POLBSMN1; SMN2TDP1

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 135/4885HTT 3495/4885SLC22A12 1058/4885

“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.