SCHEMBL19641150

SCHEMBL19641150

CC(C)(C)[S+]([O-])/N=C1\C(F)(Cc2ccccc2)CCC12CCN(C(=O)O)CC2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 3/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ CYP46A1 Q9Y6A2 8/20 0.32
▸ PKLR P30613 1/20 0.32
▸ CRBN Q96SW2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL18319615 0.73 — —
SCHEMBL18319616 0.73 — —
SCHEMBL22493740 0.71 GPR3 (0.38) CRBNALDH1A1GPR3
SCHEMBL21855882 0.71 GPR3 (0.38) CRBNALDH1A1GPR3
SCHEMBL21855883 0.71 GPR3 (0.38) CRBNALDH1A1GPR3
SCHEMBL29992908 0.71 GPR3 (0.38) CRBNALDH1A1GPR3
SCHEMBL22493738 0.71 GPR3 (0.38) CRBNALDH1A1GPR3
SCHEMBL29944777 0.70 MEN1 (0.42) CYP2C19
SCHEMBL28900028 0.70 — —
SCHEMBL23826837 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840536-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-12-12 — — US disclosed
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-04-13 — — US disclosed
US-11466017-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-11 — — US disclosed
EP-3463343-B1 HETEROCYCLIC INHIBITORS OF PTPN11 UNIV TEXAS (US) 2022-03-23 — — EP disclosed
US-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-01-21 — — US disclosed
US-10851110-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-12-01 — — US disclosed
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-09-05 — — US disclosed
US-10280171-B2 Heterocyclic inhibitors of PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-07 — — US disclosed
EP-3463343-A1 HETEROCYCLIC INHIBITORS OF PTPN11 Board of Regents, University of Texas System (US) 2019-04-10 — — EP disclosed
WO-2017210134-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-07 — — WO disclosed
US-20170342078-A1 HETEROCYCLIC INHIBITORS OF PTPN11 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-11-30 — — 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 (8 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-20170342078-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP AVPR1A 4860/4885OPRM1 4811/4885OPRL1 4633/4885
US-11466017-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP AVPR1A 4860/4885OPRM1 4811/4885OPRL1 4633/4885
US-20210017182-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP AVPR1A 4860/4885OPRM1 4811/4885OPRL1 4633/4885
US-20230109858-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP AVPR1A 4860/4885OPRM1 4811/4885OPRL1 4633/4885
US-10851110-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP AVPR1A 4860/4885OPRM1 4811/4885OPRL1 4633/4885
US-20190270746-A1 HETEROCYCLIC INHIBITORS OF PTPN11 PTPRJ, PTPN11, PTPRCAP AVPR1A 4860/4885OPRM1 4811/4885OPRL1 4633/4885
US-10280171-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP AVPR1A 4860/4885OPRM1 4811/4885OPRL1 4633/4885
US-11840536-B2 Heterocyclic inhibitors of PTPN11 PTPRJ, PTPN11, PTPRCAP AVPR1A 4860/4885OPRM1 4811/4885OPRL1 4633/4885

“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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