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Sugi Predict / Compounds / SCHEMBL17086509

SCHEMBL17086509

SCHEMBL17086509

CCO[C@H]1CC[C@H](/C=C/C(=O)N2C(=O)OC[C@H]2c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ AVPR1A P37288 7/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ GLS O94925 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL18603655 1.00 SMN1; SMN2 (0.37) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL18603657 1.00 SMN1; SMN2 (0.37) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL8863509 0.89 ALDH1A1 (0.41) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL8863508 0.89 ALDH1A1 (0.41) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL8863514 0.89 ALDH1A1 (0.41) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL17078163 0.82 RIPK1 (0.39) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL16439471 0.82 RIPK1 (0.39) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL17800375 0.82 RIPK1 (0.39) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL17078162 0.82 RIPK1 (0.39) SMN1; SMN2LMNANPC1TP53HPGD
SCHEMBL18603737 0.82 AVPR1A (0.34) SMN1; SMN2LMNANPC1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 — — EP disclosed
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 — — EP disclosed
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-27 — — US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 — — US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 — — US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 — — US disclosed
WO-2015135091-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — WO disclosed
WO-2015138220-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — WO 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-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS PREP, CTSZ, PEPD SMN1; SMN2 4566/4885LMNA 3056/4885NPC1 414/4885
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors PREP, CTSZ, PEPD SMN1; SMN2 4566/4885LMNA 3056/4885NPC1 414/4885

“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.