SCHEMBL17168952

SCHEMBL17168952

C[C@H](N[S@+]([O-])C(C)(C)C)C1CCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL17606328 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL15816596 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL30268847 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL17605558 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL17606329 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL15816597 1.00 CA12 (0.31) CA12CA1CA2MMP2CA9
SCHEMBL30238647 0.96 CA12 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL30268841 0.96 CA12 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL15663044 0.96 CA12 (0.34) CA12CA1CA2MMP2CA9
SCHEMBL15663045 0.96 CA12 (0.34) CA12CA1CA2MMP2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3418280-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
EP-3131902-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2019-06-12 EP disclosed
US-20190002465-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2019-01-03 US disclosed
US-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2018-01-25 US disclosed
US-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2018-01-25 US disclosed
US-9598415-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-9598415-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-20170008894-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2017-01-12 US disclosed
US-20170008894-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2017-01-12 US disclosed
US-20160075706-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2016-03-17 US disclosed
US-9242989-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9242989-B2 Compounds as modulators of RORγ BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
WO-2015160654-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-22 WO disclosed
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 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 (5 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-20180022749-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA CA12 1433/4885CA1 1772/4885CA2 2461/4885
US-20170008894-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA CA12 1433/4885CA1 1772/4885CA2 2461/4885
US-20150291607-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA CA12 1433/4885CA1 1772/4885CA2 2461/4885
US-20190002465-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA CA12 1433/4885CA1 1772/4885CA2 2461/4885
US-20160075706-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORB, RORC, RORA CA12 1433/4885CA1 1772/4885CA2 2461/4885

“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.