SCHEMBL9487596

SCHEMBL9487596

CCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
ATM Q13315 2/20 0.65
ALDH1A1 P00352 3/20 0.63
THRB P10828 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
HSD17B10 Q99714 1/20 0.63
GAA P10253 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
GLA P06280 1/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
MDM4 O15151 1/20 0.59
MDM2 Q00987 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL9487591 1.00 POLB (0.66) POLBATMALDH1A1THRBCYP2C9
SCHEMBL27761115 0.93 HDAC1 (0.69) POLBATMALDH1A1THRBCYP2C9
SCHEMBL10741167 0.91 ALDH1A1 (0.61) POLBATMALDH1A1THRBCYP2C9
SCHEMBL27703697 0.90 HDAC1 (0.56) POLBATMALDH1A1THRBCYP2C9
SCHEMBL9487303 0.89 TP53 (0.61) POLBATMALDH1A1GAARAB9A
SCHEMBL9487298 0.89 TP53 (0.61) POLBATMALDH1A1GAARAB9A
SCHEMBL15290564 0.88 PSMB5 (0.64) POLBALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9487603 0.88 POLB (0.67) POLBATMALDH1A1THRBCYP2C9
SCHEMBL9487610 0.88 POLB (0.67) POLBATMALDH1A1THRBCYP2C9
SCHEMBL13296315 0.88 TACR1 (0.64) POLBATMALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180045740-A1 METHOD OF DIAGNOSIS, PROGNOSIS OR TREATMENT OF NEURODEGENERATIVE DISEASES Sorbonne Université (FR) 2018-02-15 US disclosed
US-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS UNIV NEW YORK (US) 2017-08-31 US disclosed
US-9593142-B2 Aldehyde capture ligation technology for synthesis of amide bonds NEW YORK UNIVERSITY (US) 2017-03-14 US disclosed
US-9243028-B2 Facile amide formation via S-nitroso thioacid intermediates WASHINGTON STATE UNIVERSITY (US) 2016-01-26 US disclosed
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS NEW YORK UNIVERSITY (US) 2015-08-20 US disclosed
US-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 US disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 US disclosed
EP-0198397-B1 METHOD OF PRODUCING L-PHENYLALANINE KURARAY CO., LTD. (JP) 1993-01-07 EP disclosed
US-4743547-A PURITY, ENZYME HYDROLYSIS KURARAY CO., LTD. (JP) 1988-05-10 US disclosed
EP-0198397-A2 Method of producing L-phenylalanine KURARAY CO., LTD. (JP) 1986-10-22 EP 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-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 POLB 887/4885ATM 3346/4885ALDH1A1 3/4885
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 POLB 887/4885ATM 3346/4885ALDH1A1 3/4885
US-20180045740-A1 METHOD OF DIAGNOSIS, PROGNOSIS OR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, PSEN2, PSEN1 POLB 680/4885ATM 1914/4885ALDH1A1 4001/4885
US-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NAAA, TST, ASNS POLB 3466/4885ATM 2526/4885ALDH1A1 3056/4885

“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.