SCHEMBL7809672

SCHEMBL7809672

Nc1cc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
CHUK O15111 1/20 0.54
BTK Q06187 1/20 0.53
MAPT P10636 9/20 0.51
KDM4E B2RXH2 9/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 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
SCHEMBL2313705 0.83 IKBKB (0.77) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL875389 0.82 IKBKB (0.60) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL29906389 0.82 IKBKB (0.60) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL5860808 0.82 CCR1 (0.50) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5195454 0.81 IKBKB (0.55) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL16426250 0.81 IKBKB (0.55) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL2044907 0.80 IKBKB (0.77) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL5192759 0.80 IKBKB (0.55) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL3081896 0.80 MAPT (0.63) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL611877 0.80 CDC7 (0.77) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688653-B2 Ethoxyphenyl thienyl compounds and methods for the treatment of bacterial infections DUKE UNIVERSITY (US) 2017-06-27 US disclosed
US-20150031658-A1 ETHOXYPHENYL THIENYL COMPOUNDS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV DUKE (US) 2015-01-29 US disclosed
EP-0783501-B9 PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2001-07-25 EP disclosed
EP-0783501-B1 PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2001-01-10 EP disclosed
US-5807854-A THERAPY FOR FUNGI INFECTIONS IN PLANTS, ANIMALS J. URIAH & CIA. S.A. (ES) 1998-09-15 US disclosed
EP-0783501-A1 NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005130-A1 NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 WO 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-20150031658-A1 ETHOXYPHENYL THIENYL COMPOUNDS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS GGPS1, FDPS, FNTA IKBKB 1461/4885CYP1A2 4023/4885CYP2C9 4514/4885

“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.