SCHEMBL4090047

SCHEMBL4090047

O=[N+]([O-])c1ccc(CO)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PGR P06401 2/20 0.49
CES2 O00748 1/20 0.49
ABCB11 O95342 1/20 0.49
GLA P06280 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
ALOX15 P16050 1/20 0.49
TBXA2R P21731 1/20 0.49
AADAC P22760 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49

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
SCHEMBL5075467 0.87 ALDH1A1 (0.47) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL12445274 0.83 ALDH1A1 (0.47) ARCYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL29761026 0.83 AR (0.50) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL10299807 0.83 SIRT6 (0.50) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL23388287 0.83 SIRT6 (0.47) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL23388269 0.83 AR (0.50) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL29761010 0.83 SIRT6 (0.47) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL14893932 0.82 SIRT6 (0.46) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL13392366 0.80 SIRT6 (0.44) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL7081575 0.80 SIRT6 (0.44) ARCYP3A4ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
CN-101331143-A Hypophosphorous acid derivatives and their therapeutic use CENTRE NAT RECH SCIENT (FR) 2008-12-24 CN disclosed
EP-1937699-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-07-02 EP disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 WO disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 AR 533/4885CYP3A4 3369/4885ALDH1A1 2089/4885

“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.