SCHEMBL18995111

SCHEMBL18995111

C[C@H]1c2cc(Cl)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 1/20 0.45
GHSR Q92847 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
DRD1 P21728 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
HTR1A P08908 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
NOTUM Q6P988 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GRM5 P41594 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HHAT Q5VTY9 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL21235427 1.00 ESR2 (0.46) ESR2NR1H2GHSRALDH1A1SMN1; SMN2
SCHEMBL21470624 0.86 ESR2 (0.56) ESR2NR1H2GHSRALDH1A1SMN1; SMN2
SCHEMBL21470623 0.86 ESR2 (0.56) ESR2NR1H2GHSRALDH1A1SMN1; SMN2
SCHEMBL15605812 0.85 GHSR (0.47) ESR2NR1H2GHSRALDH1A1MEN1
SCHEMBL24528815 0.85 NR1H2 (0.45) ESR2NR1H2GHSRSMN1; SMN2MEN1
SCHEMBL30878523 0.85 NR1H2 (0.45) ESR2NR1H2GHSRSMN1; SMN2MEN1
SCHEMBL19204305 0.84 GHSR (0.44) ESR2NR1H2GHSRALDH1A1DRD2
SCHEMBL5776482 0.83 NR1H2 (0.44) ESR2NR1H2GHSRSMN1; SMN2MEN1
SCHEMBL30878572 0.83 GHSR (0.46) ESR2NR1H2GHSRSMN1; SMN2KMT2A
SCHEMBL5776208 0.83 GHSR (0.46) ESR2NR1H2GHSRSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
EP-3517112-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
EP-3164130-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2019-08-07 EP disclosed
EP-3517112-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-07-31 EP disclosed
US-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-07-02 US disclosed
US-9962386-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-03 US disclosed
US-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 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 (4 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-10335410-B2 Heteroaryl compounds useful as inhibitors of sumo activating enzyme SAE1, SUMO1, SUMO3 ESR2 421/4885NR1H2 375/4885GHSR 3114/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ESR2 421/4885NR1H2 375/4885GHSR 3114/4885
US-20170216290-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ESR2 421/4885NR1H2 375/4885GHSR 3114/4885
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme SAE1, SUMO1, SUMO3 ESR2 421/4885NR1H2 375/4885GHSR 3114/4885

“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.