SCHEMBL4817141

SCHEMBL4817141

Cc1cc(C)cc(C(=O)NC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.48
CYP2C19 P33261 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CACNA1B Q00975 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL29706234 0.96 CYP2C19 (0.47) TPMTCYP2C19ANO1MEN1KMT2A
SCHEMBL16142821 0.87 KDR (0.44) CYP2C19ANO1MEN1KMT2ALMNA
SCHEMBL16261472 0.87 ANO1 (0.51) CYP2C19ANO1MEN1KMT2APOLB
SCHEMBL15726940 0.87 ANO1 (0.45) CYP2C19ANO1MEN1KMT2ALMNA
SCHEMBL570284 0.86 MEN1 (0.49) MEN1KMT2ALMNAMAPTGAA
SCHEMBL15726944 0.84 ADCY8 (0.46) ANO1MEN1KMT2AMAPTGAA
SCHEMBL21841652 0.82 RXRA (0.46) CYP2C19ANO1MEN1KMT2ACACNA1B
SCHEMBL16261376 0.81 ANO1 (0.42) CYP2C19ANO1MEN1KMT2ALMNA
SCHEMBL3076922 0.81 POLB (0.44) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL13139932 0.81 JAK2 (0.43) MEN1KMT2ALMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
EP-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 EP disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed
US-7453011-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. 2007-12-13 US disclosed
US-7235695-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2007-06-26 US disclosed
US-20060030735-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor CELLGATE, INC. (US) 2006-02-09 US disclosed
US-6982351-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor CELLGATE, INC. (US) 2006-01-03 US disclosed
EP-1453787-A1 CYCLOALKYL SUBSTITUTED POLYAMINES FOR CANCER THERAPY AND METHODS OF SYNTHESIS THEREFOR SLIL Biomedical Corporation (US) 2004-09-08 EP disclosed
US-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2003-10-16 US disclosed
WO-2003050072-A1 CYCLOALKYL SUBSTITUTED POLYAMINES FOR CANCER THERAPY AND METHODS OF SYNTHESIS THEREFOR SLIL BIOMEDICAL CORPORATION (US) 2003-06-19 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 (4 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC TPMT 522/4885CYP2C19 1761/4885ANO1 4647/4885
US-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR TPMT 1911/4885CYP2C19 3900/4885ANO1 1670/4885
US-20060030735-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR TPMT 1911/4885CYP2C19 3900/4885ANO1 1670/4885
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR TPMT 1911/4885CYP2C19 3900/4885ANO1 1670/4885

“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.