SCHEMBL18797246

SCHEMBL18797246

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
MAPK1 P28482 1/20 0.37
F2 P00734 1/20 0.32
F11 P03951 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CASP6 P55212 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
P4HB P07237 1/20 0.30

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
SCHEMBL18797248 1.00 P2RX7 (0.39) P2RX7MAPK1F2F11PRSS1
SCHEMBL18797247 1.00 P2RX7 (0.39) P2RX7MAPK1F2F11PRSS1
SCHEMBL18810299 0.83 P2RX7 (0.33) P2RX7MAPK1MEN1KMT2APOLB
SCHEMBL18789254 0.83 P2RX7 (0.33) P2RX7MAPK1MEN1KMT2APOLB
SCHEMBL18810304 0.83 P2RX7 (0.33) P2RX7MAPK1MEN1KMT2APOLB
SCHEMBL19946900 0.75 CCR4 (0.36) P2RX7
SCHEMBL23403739 0.75 P2RX7 (0.47) P2RX7MAPK1
SCHEMBL25221783 0.75 P2RX7 (0.38) P2RX7MAPK1POLBCASP6CTDSP1
SCHEMBL25222124 0.75 P2RX7 (0.38) P2RX7MAPK1POLBCASP6CTDSP1
SCHEMBL16336454 0.75 P2RX7 (0.38) P2RX7MAPK1POLBCASP6CTDSP1

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-2017075182-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO disclosed
WO-2017075178-A1 SUBSTITUTED BICYCLIC PYRAZOLE 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 1447/4885F2 4460/4885
US-20180305320-A1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA P2RX7 477/4885MAPK1 1262/4885F2 4350/4885
US-20180312489-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA P2RX7 737/4885MAPK1 1355/4885F2 4604/4885
US-10287272-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA P2RX7 746/4885MAPK1 1385/4885F2 4606/4885
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA P2RX7 852/4885MAPK1 1447/4885F2 4460/4885
US-10344000-B2 Substituted bicyclic pyrazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA P2RX7 477/4885MAPK1 1262/4885F2 4350/4885

“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.