SCHEMBL18366279

SCHEMBL18366279

O=C(N[C@@H](CCCCO)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.55
HDAC2 Q92769 4/20 0.55
CTSL P07711 3/20 0.55
CTSS P25774 2/20 0.55
SIRT2 Q8IXJ6 3/20 0.53
SIRT1 Q96EB6 3/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.52
CTSK P43235 3/20 0.51
TACR1 P25103 2/20 0.51
FOLH1 Q04609 1/20 0.51
CTRB1 P17538 2/20 0.50
CTSB P07858 1/20 0.50
IDO1 P14902 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL19659180 1.00 HDAC1 (0.55) HDAC1HDAC2CTSLCTSSSIRT2
SCHEMBL18405554 0.96 CTSL (0.56) HDAC1HDAC2CTSLCTSSSIRT2
SCHEMBL19658555 0.92 FOLH1 (0.60) CTSLCTSSSIRT2SIRT1SIRT5
SCHEMBL600823 0.92 FOLH1 (0.60) CTSLCTSSSIRT2SIRT1SIRT5
SCHEMBL26641195 0.92 FOLH1 (0.60) CTSLCTSSSIRT2SIRT1SIRT5
SCHEMBL6059278 0.90 CTSK (0.54) CTSLCTSSCTSKTACR1CTRB1
SCHEMBL7215503 0.90 CTSK (0.54) CTSLCTSSCTSKTACR1CTRB1
SCHEMBL9086439 0.88 ITGB3 (0.60) HDAC1HDAC2CTSLCTSSSIRT2
SCHEMBL1110961 0.88 SIRT2 (0.60) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL1110959 0.88 SIRT2 (0.60) CTSLCTSSSIRT2SIRT1SIRT3

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-12281101-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2025-04-22 US disclosed
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
US-20220348559-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-11-03 US disclosed
EP-3317269-B1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2022-09-21 EP disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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-20220348559-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 HDAC1 256/4885HDAC2 1018/4885CTSL 987/4885
US-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 HDAC1 256/4885HDAC2 1018/4885CTSL 987/4885
US-12281101-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 HDAC1 256/4885HDAC2 1018/4885CTSL 987/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 HDAC1 256/4885HDAC2 1018/4885CTSL 987/4885

“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.