SCHEMBL3208908

SCHEMBL3208908

Cc1cc(C(N)=O)cc(C)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.41
PKMYT1 Q99640 1/20 0.41
PARP1 P09874 2/20 0.41
CYP3A4 P08684 3/20 0.39
MAPT P10636 2/20 0.39
ERN1 O75460 4/20 0.38
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1174688 0.80 TPMT (0.50) RAF1CYP3A4MAPTSMN1; SMN2TSHR
SCHEMBL16769484 0.80 CA5A (0.44) CYP3A4MAPTERN1SMN1; SMN2ALDH1A1
SCHEMBL18471225 0.77 SMN1; SMN2 (0.49) PARP1CYP3A4MAPTBRD4BRD9
SCHEMBL10831613 0.77 PARP1 (0.46) PARP1CYP3A4MAPTBRD4BRD9
SCHEMBL13316834 0.76 RAF1 (0.38) RAF1PKMYT1PARP1BRD4BRD9
SCHEMBL15299942 0.75 ALDH1A1 (0.50) CYP3A4MAPTERN1TSHRALDH1A1
SCHEMBL3220166 0.75 CA1 (0.48) PARP1CYP3A4MAPTBRD4SMN1; SMN2
SCHEMBL1397262 0.75 POLB (0.50) PARP1CYP3A4MAPTBRD4BRD9
SCHEMBL1004660 0.75 PARP1 (0.50) PARP1CYP3A4MAPTBRD4BRD9
SCHEMBL13488142 0.74 RAF1 (0.34) RAF1PKMYT1PARP1BRD4BRD9

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026032-B Method for producing optically active 4-carbamoyl-2, 6-dimethylphenylalanine derivative 株式会社钟化 2020-09-29 CN claimed
CN-108026032-A The manufacture method of optical activity 4- carbamoyl -2,6- 3,5-dimethylphenyl alanine derivatives 株式会社钟化 2018-05-11 CN claimed
CN-108026032-B Method for producing optically active 4-carbamoyl-2, 6-dimethylphenylalanine derivative 株式会社钟化 2020-09-29 CN disclosed
CN-108026032-A The manufacture method of optical activity 4- carbamoyl -2,6- 3,5-dimethylphenyl alanine derivatives 株式会社钟化 2018-05-11 CN disclosed
EP-1858850-B1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-21 EP disclosed
EP-1858850-B1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-21 EP disclosed
US-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS CAI CHAOZHONG 2010-06-17 US disclosed
US-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS CAI CHAOZHONG 2010-06-17 US disclosed
US-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS CAI CHAOZHONG 2010-06-17 US disclosed
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS CAI CHAOZHONG 2010-02-11 US disclosed
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS CAI CHAOZHONG 2010-02-11 US disclosed
US-7629488-B2 2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid; treatment and prevention of pain and gastrointestinal disorders; cost efficiency, industrial scale production JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
US-7629488-B2 2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid; treatment and prevention of pain and gastrointestinal disorders; cost efficiency, industrial scale production JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
US-7629488-B2 2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid; treatment and prevention of pain and gastrointestinal disorders; cost efficiency, industrial scale production JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 US disclosed
EP-1863764-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-12 EP disclosed
EP-1858850-A2 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-28 EP disclosed
WO-2006099060-A2 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 WO disclosed
WO-2006098982-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 WO disclosed
US-20060211863-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US disclosed
US-20060211861-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US 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-20100152460-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS OPRM1, OPRK1, OPRL1 RAF1 4171/4885PKMYT1 1325/4885PARP1 4664/4885
US-20060211861-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 RAF1 4171/4885PKMYT1 1325/4885PARP1 4664/4885
US-20100036132-A1 PROCESS FOR THE PREPARATION OF OPIOD MODULATORS OPRM1, OPRL1, OPRK1 RAF1 4286/4885PKMYT1 1664/4885PARP1 4710/4885
US-20060211863-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 RAF1 4171/4885PKMYT1 1325/4885PARP1 4664/4885

“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.