SCHEMBL20739480

SCHEMBL20739480

CC(=O)c1ccc(C(=O)N2CCC(N)(CO)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.44
▸ HSD11B1 P28845 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL23384529 0.91 HSD11B1 (0.45) S1PR1HSD11B1POLBGABRDGABRA1
SCHEMBL23384545 0.89 S1PR1 (0.42) S1PR1POLBGABRDGABRA1GABRB1
SCHEMBL20722178 0.86 HPGD (0.51) POLBCA12CA1CA2CA7
SCHEMBL20739606 0.86 HPGD (0.51) POLBCA12CA1CA2CA7
SCHEMBL23384541 0.84 S1PR1 (0.41) S1PR1GABRDGABRA1GABRB1GABRA5
SCHEMBL23357638 0.83 S1PR1 (0.37) S1PR1KDM1AITGB3ITGA2BCYP2D6
SCHEMBL20722200 0.83 S1PR1 (0.37) S1PR1KDM1AITGB3ITGA2BCYP2D6
SCHEMBL20722167 0.83 S1PR1 (0.37) S1PR1KDM1AITGB3ITGA2BCYP2D6
SCHEMBL20722161 0.82 ITGB3 (0.40) S1PR1CYP1A2HIF1AITGB3ITGA2B
SCHEMBL23384533 0.81 S1PR1 (0.43) S1PR1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059784-B2 Oxime ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-11059784-B2 Oxime ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-20210147361-A1 OXIME ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — US disclosed
US-20210147361-A1 OXIME ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — US disclosed
WO-2019032631-A1 OXIME ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-14 — — 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 (2 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-20210147361-A1 OXIME ETHER COMPOUNDS S1PR1, S1PR3, S1PR2 S1PR1 1/4885HSD11B1 859/4885POLB 2678/4885
US-11059784-B2 Oxime ether compounds S1PR1, S1PR3, S1PR2 S1PR1 1/4885HSD11B1 868/4885POLB 2719/4885

“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.

Send feedback