SCHEMBL21577138

SCHEMBL21577138

O=C(O)c1ccc2c(c1)nc(C(F)(F)F)n2C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.45
▸ HCAR3 P49019 1/20 0.43
▸ PPARG P37231 2/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.40
▸ EHMT1 Q9H9B1 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ ATXN2 Q99700 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
SCHEMBL18033714 0.78 FGFR1 (0.53) HCAR3HSD17B10
SCHEMBL21778282 0.74 CNR2 (0.54) HSD17B10CYP1A2CYP2D6
SCHEMBL18033708 0.73 HCAR3 (0.60) HCAR3
SCHEMBL6171555 0.72 PPARG (0.55) HCAR3PPARGEHMT2EHMT1CYP1A2
SCHEMBL17326619 0.71 RXRA (0.47) RXRAPPARGNR1H3HSD17B10MRGPRX4
SCHEMBL8855520 0.71 MAPT (0.39) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23613732 0.71 P2RX3 (0.43) —
SCHEMBL15294682 0.70 EHMT2 (0.48) EHMT2
SCHEMBL22382419 0.70 EHMT2 (0.53) HCAR3HSD17B10EHMT2EHMT1
SCHEMBL28913821 0.69 JAK2 (0.53) HCAR3HSD17B10EHMT2EHMT1

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
EP-3939974-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, LLC (US) 2022-01-19 — — EP disclosed
EP-3408268-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-08-04 — — EP disclosed
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 — — US disclosed
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 — — US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 — — 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 (3 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-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA RORB, RORC, RORA RXRA 19/4885HCAR3 2126/4885PPARG 9/4885
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma RORB, RORC, RORA RXRA 14/4885HCAR3 2415/4885PPARG 10/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA RXRA 14/4885HCAR3 1216/4885PPARG 17/4885

“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