SCHEMBL4965873

SCHEMBL4965873

CCCCCCCN(Cc1ccc(F)cc1F)C(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.46
RIPK1 Q13546 2/20 0.44
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TSPO P30536 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3963243 0.88 NPC1 (0.47) SOAT1RIPK1HTR2AALDH1A1
SCHEMBL3963129 0.88 NPC1 (0.47) SOAT1RIPK1HTR2AALDH1A1
SCHEMBL4630764 0.81 SOAT1 (0.46) SOAT1HTR2AKDM4EALDH1A1CYP3A4
SCHEMBL9154366 0.81 RIPK1 (0.57) SOAT1RIPK1PPARGPPARAPPARD
SCHEMBL3963598 0.74 PPARA (0.42) SOAT1PPARGPPARAPPARD
SCHEMBL4961989 0.73 ALDH1A1 (0.50) SOAT1HTR2AKDM4EMEN1ALDH1A1
SCHEMBL4001303 0.73 CNR2 (0.64)
SCHEMBL24221240 0.73 RIPK1 (0.52) RIPK1HTR2AKDM4EALDH1A1TSPO
SCHEMBL5543819 0.72 CA12 (0.48)
SCHEMBL7609631 0.72 CA12 (0.48)

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
US-7351858-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-01 US disclosed
EP-1517679-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
US-20050239806-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-10-27 US disclosed
US-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB, R&D HEADQUARTERS, GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2005-10-06 US disclosed
US-20050187389-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-08-25 US disclosed
US-20050165029-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-07-28 US disclosed
US-20050153989-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-07-14 US disclosed
EP-1517679-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000294-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 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 (5 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-20050165029-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA SOAT1 2412/4885RIPK1 474/4885HTR2A 4156/4885
US-20050187389-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA SOAT1 2412/4885RIPK1 474/4885HTR2A 4156/4885
US-20050153989-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA SOAT1 2412/4885RIPK1 474/4885HTR2A 4156/4885
US-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance INSR, GPR119, IRS1 SOAT1 523/4885RIPK1 3413/4885HTR2A 4216/4885
US-20050239806-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA SOAT1 2412/4885RIPK1 474/4885HTR2A 4156/4885

“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.