SCHEMBL21150128

SCHEMBL21150128

CCC1(NC(=O)OC(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ EPHX2 P34913 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
SCHEMBL20908042 0.80 IDO1 (0.35) IDO1TSHRSMN1; SMN2
SCHEMBL12282736 0.78 MME (0.41) IDO1TSHRCYP2D6NPC1CYP1A2
SCHEMBL17033149 0.74 KMT2A (0.32) SMN1; SMN2
SCHEMBL20907631 0.74 TSHR (0.37) IDO1TSHRALOX15CYP2D6NPC1
SCHEMBL14173595 0.73 KMT2A (0.38) CYP1A2CYP2C9CYP2C19
SCHEMBL15506696 0.72 GLA (0.32) —
SCHEMBL19112953 0.72 SMN1; SMN2 (0.40) TSHRRAB9ASMN1; SMN2KDM4E
SCHEMBL7621080 0.71 CXCR5 (0.35) IDO1TSHRALOX15CYP2D6NPC1
SCHEMBL23114993 0.70 MGAM (0.30) —
SCHEMBL20899789 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — 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 (2 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN IDO1 828/4885TSHR 4797/4885ALOX15 2747/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN IDO1 569/4885TSHR 4832/4885ALOX15 2509/4885

“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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