SCHEMBL17066904

SCHEMBL17066904

CCC1C(=O)Nc2c(C)cc(C)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
PGR P06401 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
KMT2A Q03164 2/20 0.34
HSPA1A P0DMV8 1/20 0.34
PTPN7 P35236 1/20 0.34
CRBN Q96SW2 1/20 0.33
MAOA P21397 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 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
SCHEMBL17066959 0.85 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4
SCHEMBL15730084 0.77 ALDH1A1 (0.55) ALDH1A1PGRCA12CA1CA2
SCHEMBL2987129 0.76 ALDH1A1 (0.44) ALDH1A1PGRCA12CA1CA2
SCHEMBL23501934 0.72 PGR (0.38) ALDH1A1PGRCA12CA1CA2
SCHEMBL17066928 0.72 MEN1 (0.44) ALDH1A1PGRKMT2AHSPA1APTPN7
SCHEMBL24019919 0.72 PGR (0.57) ALDH1A1PGRPOLBMAPTTP53
SCHEMBL14555366 0.72 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA4
SCHEMBL2988866 0.72 PGR (0.57) ALDH1A1PGRPOLBMAPTTP53
SCHEMBL18854050 0.69 PGR (0.50) PGRPOLBMAPTTP53GAA
SCHEMBL23501955 0.68 PGR (0.33) ALDH1A1PGRCA12CA1CA2

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
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885PGR 1804/4885CA12 3399/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN ALDH1A1 649/4885PGR 1804/4885CA12 3399/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885PGR 1804/4885CA12 3399/4885

“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.