SCHEMBL12413852

SCHEMBL12413852

CC(C)c1cc(F)c(C#N)cc1F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.50
CYP11B1 P15538 12/20 0.36
CYP11B2 P19099 12/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
KHK P50053 1/20 0.35
AR P10275 1/20 0.34
EIF4A3 P38919 1/20 0.33
PGR P06401 1/20 0.33
KDM5A P29375 1/20 0.32

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
SCHEMBL13953846 0.92 TRPV4 (0.45) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL27411714 0.89 TRPV4 (0.47) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL26137538 0.88 TRPV4 (0.36) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL16122320 0.88 TRPV4 (0.45) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL18068019 0.88 TRPV4 (0.41) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL12041224 0.85 TRPV4 (0.42) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL25194511 0.84 TRPV4 (0.47) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL14433590 0.84 TRPV4 (0.42) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL12186140 0.84 TRPV4 (0.38) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL17946968 0.82 ALDH1A1 (0.43) TRPV4CYP11B2KHKAREIF4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
US-9809583-B2 Oxazolidine-based compound and selective androgen receptor agonist comprising same DONG-A ST CO., LTD. (KR) 2017-11-07 US disclosed
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG-A ST CO., LTD. (KR) 2017-02-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME AR, SHBG, MUSK TRPV4 1690/4885CYP11B1 71/4885CYP11B2 49/4885
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 TRPV4 3545/4885CYP11B1 436/4885CYP11B2 475/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 TRPV4 3119/4885CYP11B1 5/4885CYP11B2 3/4885

“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.