SCHEMBL17710296

SCHEMBL17710296

CC[C@H](NC(=O)OC(C)(C)C)C(=O)CC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.54
CTSS P25774 7/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CYP2D6 P10635 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CAPN1 P07384 1/20 0.39
ACE P12821 1/20 0.39

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
SCHEMBL17710295 1.00 CTSK (0.54) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL17258033 0.92 CTSK (0.55) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15244099 0.92 CTSK (0.55) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL17695897 0.87 CYP1A2 (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18653734 0.87 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15231250 0.85 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL10534972 0.85 CTSK (0.59) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL28554544 0.84 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL14923551 0.84 CTSK (0.58) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL8097553 0.84 CTSK (0.56) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001583-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-11 US disclosed
US-20200339566-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. 2020-10-29 US disclosed
US-20200079767-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2020-03-12 US disclosed
EP-3207043-B3 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2019-10-02 EP disclosed
CN-107074852-B The pyrrolin and pyridine inhibitors of ROR- γ 生命医药有限责任公司 2019-08-16 CN disclosed
EP-3207043-B1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS INC (US) 2018-12-12 EP disclosed
US-10087184-B2 Dihydropyrrolopyridine inhibitors of RORγ VITAE PHARMACEUTICALS, INC. (US) 2018-10-02 US disclosed
US-20180222902-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2018-08-09 US disclosed
US-9796710-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
CN-107074852-A ROR γ pyrrolin and pyridine inhibitors 生命医药公司 2017-08-18 CN disclosed
US-9663515-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20170081327-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-03-23 US disclosed
US-9481674-B1 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20160122345-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2016-05-05 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 (7 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-11001583-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA CTSK 4102/4885CTSS 4720/4885CYP1A2 128/4885
US-20180222902-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CTSK 4102/4885CTSS 4720/4885CYP1A2 128/4885
US-20160122345-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CTSK 4102/4885CTSS 4720/4885CYP1A2 128/4885
US-20170081327-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CTSK 4223/4885CTSS 4754/4885CYP1A2 188/4885
US-10087184-B2 Dihydropyrrolopyridine inhibitors of RORγ RORC, RORB, RORA CTSK 3906/4885CTSS 4509/4885CYP1A2 99/4885
US-20200079767-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CTSK 4102/4885CTSS 4720/4885CYP1A2 128/4885
US-20200339566-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA CTSK 4102/4885CTSS 4720/4885CYP1A2 128/4885

“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.