SCHEMBL18935708

SCHEMBL18935708

CCCC(C)(C)c1ccc(C#N)nc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
CHEK1 O14757 10/20 0.38
ACACB O00763 1/20 0.34
DGAT1 O75907 1/20 0.33
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KIF11 P52732 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
SCHEMBL19251124 0.88 CNR2 (0.45) CNR2CNR1
SCHEMBL18745830 0.86 AR (0.40) ARCHEK1ACACBDGAT1
SCHEMBL28897627 0.85 AR (0.44) ARCHEK1ACACBDGAT1ESR1
SCHEMBL22752561 0.80 CNR2 (0.38) ARCHEK1DGAT1CNR2CNR1
SCHEMBL19251280 0.78 CNR2 (0.38) ARCHEK1DGAT1CNR2CNR1
SCHEMBL2739660 0.78 KIF11 (0.44) ARCHEK1DGAT1KIF11
SCHEMBL15121088 0.75 CNR2 (0.36) ARCNR2CNR1ESR1ESR2
SCHEMBL1584633 0.75 DGAT1 (0.42) ARCHEK1DGAT1KIF11
SCHEMBL21553529 0.74 PPARD (0.36) ARCHEK1
SCHEMBL21719135 0.74 CNR2 (0.38) DGAT1CNR2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
US-20220081455-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2022-03-17 US disclosed
US-10793549-B2 Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-06 US disclosed
US-20190300506-A1 SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-10-03 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 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 (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-20190300506-A1 SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF STS, SLC5A2, SULT2A1 AR 1980/4885CHEK1 4680/4885ACACB 1868/4885
US-20220081455-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 AR 4609/4885CHEK1 2415/4885ACACB 585/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 AR 4609/4885CHEK1 2415/4885ACACB 585/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 AR 4609/4885CHEK1 2415/4885ACACB 585/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB AR 2773/4885CHEK1 530/4885ACACB 4072/4885
US-10793549-B2 Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof STS, SULT2A1, CYP2A13 AR 1924/4885CHEK1 4102/4885ACACB 2684/4885

“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.