SCHEMBL17540487

SCHEMBL17540487

CC(C)NC(=O)c1cccc(CO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ROCK2 O75116 2/20 0.55
▸ ROCK1 Q13464 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MRGPRX4 Q96LA9 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ SMYD3 Q9H7B4 1/20 0.50
▸ ERN1 O75460 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ CYP4F2 P78329 1/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL13753809 0.87 NPSR1 (0.56) NPSR1ROCK2ROCK1KDM4EMRGPRX4
SCHEMBL27273362 0.85 KDM4E (0.57) NPSR1ROCK2ROCK1KDM4EMRGPRX4
SCHEMBL23553939 0.84 ROCK2 (0.60) NPSR1ROCK2ROCK1KDM4EMRGPRX4
SCHEMBL8593124 0.84 NPSR1 (0.69) NPSR1ROCK2ROCK1KDM4EATM
SCHEMBL20386704 0.83 NPSR1 (0.56) NPSR1ROCK2ROCK1KDM4EMRGPRX4
SCHEMBL1569614 0.81 SLC7A5 (0.60) MRGPRX4SMYD3CYP4F2CYP4A11KMT2A
SCHEMBL1754131 0.81 ATM (0.67) NPSR1ATMTAS1R3TAS1R1KMT2A
SCHEMBL30522592 0.81 ATM (0.67) NPSR1ATMTAS1R3TAS1R1KMT2A
SCHEMBL3305875 0.80 ROCK2 (0.56) NPSR1ROCK2ROCK1KDM4EMRGPRX4
SCHEMBL3305869 0.80 ROCK2 (0.56) NPSR1ROCK2ROCK1KDM4EMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 — — US disclosed
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 — — US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 — — US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 — — EP disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 — — US disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 — — US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 — — 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 (6 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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885ROCK2 282/4885ROCK1 373/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885ROCK2 282/4885ROCK1 373/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885ROCK2 282/4885ROCK1 373/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885ROCK2 282/4885ROCK1 373/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPSR1 721/4885ROCK2 282/4885ROCK1 373/4885
US-11858879-B2 PARG inhibitors and method of use thereof PARG, PARP12, PARP15 NPSR1 3995/4885ROCK2 601/4885ROCK1 645/4885

“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.

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