SCHEMBL22144397

SCHEMBL22144397

COc1ccccc1[C@@H](O)C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SGMS2 Q8NHU3 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1199570 1.00 TSHR (0.47) TSHRCA1CA2CA12CA4
SCHEMBL1200418 0.85 GAA (0.55) SMN1; SMN2HPGDALDH1A1SGMS2POLB
SCHEMBL1200542 0.83 CTDSP1 (0.46) TSHRKDM4EMAPTALOX15HSD17B10
SCHEMBL1200820 0.83 TSHR (0.42) TSHRCA1CA2CA7CA9
SCHEMBL7868993 0.82 KDM4E (0.37) TSHRCA1CA2CA12CA4
SCHEMBL1200839 0.82 TSHR (0.41) TSHRKDM4ESMN1; SMN2MAPTHPGD
SCHEMBL1199595 0.82 PTGS2 (0.47) TSHRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1200939 0.80 AR (0.44) TSHRKDM4ESMN1; SMN2MAPTHPGD
Benzene SCHEMBL1200605 0.80 PTGS2 (0.50) TSHRKDM4EMAPTHPGDALOX15
SCHEMBL13937393 0.80 TSHR (0.61) TSHRKDM4EMAPTALDH1A1L3MBTL1

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-4273132-A2 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF Gilead Sciences, Inc. (US) 2023-11-08 EP disclosed
EP-3589636-B1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
US-20210024537-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES, INC. 2021-01-28 US disclosed
US-10745412-B2 Processes for preparing ACC inhibitors and solid forms thereof GILEAD SCIENCES, INC. (US) 2020-08-18 US disclosed
US-20200199147-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF GILEAD SCIENCES, INC. 2020-06-25 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-20210024537-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF ACACA, ACACB, ACAT2 TSHR 4377/4885CA1 1233/4885CA2 1306/4885
US-10745412-B2 Processes for preparing ACC inhibitors and solid forms thereof ACACA, ACACB, ACAT2 TSHR 4377/4885CA1 1233/4885CA2 1306/4885
US-20200199147-A1 PROCESSES FOR PREPARING ACC INHIBITORS AND SOLID FORMS THEREOF ACACA, ACACB, ACAT2 TSHR 4377/4885CA1 1233/4885CA2 1306/4885

“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.