SCHEMBL18797193

SCHEMBL18797193

C[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)CC[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 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
SCHEMBL18797315 1.00 P2RX7 (0.38) P2RX7MAPK1ALDH1A1LMNAPOLB
SCHEMBL18797313 1.00 P2RX7 (0.38) P2RX7MAPK1ALDH1A1LMNAPOLB
SCHEMBL18810301 0.81 P2RX7 (0.33) P2RX7MAPK1
SCHEMBL16338349 0.75 P2RX7 (0.39) P2RX7MAPK1
SCHEMBL26984379 0.74 P2RX7 (0.47) P2RX7MAPK1
SCHEMBL19984732 0.73 P2RX7 (0.46) P2RX7MAPK1
SCHEMBL18797246 0.72 P2RX7 (0.39) P2RX7MAPK1ALDH1A1LMNAPOLB
SCHEMBL18797248 0.72 P2RX7 (0.39) P2RX7MAPK1ALDH1A1LMNAPOLB
SCHEMBL15166664 0.72 P2RX7 (0.46) P2RX7MAPK1LMNA
SCHEMBL18797582 0.72 P2RX7 (0.46) P2RX7MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368539-B1 SUBSTITUTED INDAZOLE COMPOUNDS AS ROR GAMMA T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3368516-B1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2019-09-12 US disclosed
US-10344000-B2 Substituted bicyclic pyrazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-07-09 US disclosed
US-10287272-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20180312489-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-11-01 US disclosed
US-20180305320-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-10-25 US disclosed
EP-3368516-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
EP-3368539-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
WO-2017075178-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO disclosed
WO-2017075182-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-05-04 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 (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-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA P2RX7 852/4885MAPK1 1447/4885ALDH1A1 446/4885
US-20180305320-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA P2RX7 477/4885MAPK1 1262/4885ALDH1A1 461/4885
US-20180312489-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA P2RX7 737/4885MAPK1 1355/4885ALDH1A1 429/4885
US-10287272-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA P2RX7 746/4885MAPK1 1385/4885ALDH1A1 435/4885
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA P2RX7 852/4885MAPK1 1447/4885ALDH1A1 446/4885
US-10344000-B2 Substituted bicyclic pyrazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA P2RX7 477/4885MAPK1 1262/4885ALDH1A1 461/4885

“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.