SCHEMBL18853879

SCHEMBL18853879

CC(C)NS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.48
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ADAMTS4 O75173 5/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ ADORA2B P29275 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL18853896 0.87 DRD1 (0.50) KMT2AMEN1PTGS2PTGS1ALDH1A1
SCHEMBL15730134 0.87 NPSR1 (0.49) NPSR1KMT2AMEN1ADAMTS4PTGS2
SCHEMBL23501966 0.83 NPSR1 (0.46) NPSR1KMT2AMEN1ADAMTS4PTGS2
SCHEMBL14555904 0.82 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL18854062 0.81 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL14555429 0.81 CA2 (0.60) PTGS2PTGS1CA12CA1CA2
SCHEMBL15409854 0.80 MKNK1 (0.46) NPSR1KMT2AMEN1ADAMTS4ALDH1A1
SCHEMBL15723958 0.79 LMNA (0.50) ALDH1A1ADORA2BGAAALOX12SMN1; SMN2
SCHEMBL15723918 0.78 PTGS2 (0.43) NPSR1PTGS2PTGS1ALDH1A1CA12
SCHEMBL20371668 0.78 ALDH1A1 (0.55) KMT2AMEN1ADAMTS4PTGS2PTGS1

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 4 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

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 NPSR1 2832/4885KMT2A 2804/4885MEN1 2645/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN NPSR1 2832/4885KMT2A 2804/4885MEN1 2645/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NPSR1 2832/4885KMT2A 2804/4885MEN1 2645/4885

“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.

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