SCHEMBL3903239

SCHEMBL3903239

Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)Nc1cccc(CCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.61
PPARD Q03181 4/20 0.61
PPARA Q07869 4/20 0.61
PPARG P37231 3/20 0.61
HSPH1 Q92598 1/20 0.58
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
FFAR1 O14842 1/20 0.53
HPGD P15428 3/20 0.49
CYP1A2 P05177 2/20 0.49
ALOX12 P18054 1/20 0.49
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGB3 P05106 1/20 0.47

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
SCHEMBL3901329 0.89 PPARG (0.49) NR1H4PPARDPPARAPPARGHSPH1
SCHEMBL3911177 0.88 MEN1 (0.54) NR1H4PPARDPPARAPPARGALDH1A1
SCHEMBL3909286 0.86 ALDH1A1 (0.51) NR1H4PPARDPPARAPPARGHSPH1
SCHEMBL13802101 0.83 ALDH1A1 (0.78) NR1H4PPARDPPARAPPARGALDH1A1
SCHEMBL3906536 0.80 MEN1 (0.61) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3903326 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3903353 0.77 MEN1 (0.57) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL898645 0.76 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3911120 0.75 NR1H4 (0.47) NR1H4PPARDPPARAPPARGHSPH1
SCHEMBL3902355 0.75 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDCYP1A2

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 5 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-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
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 NR1H4 248/4885PPARD 214/4885PPARA 294/4885

“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.