SCHEMBL18081997

SCHEMBL18081997

COc1cc(O)cc(C(=O)N[C@H](COc2cccc3nc(C)c(C(=O)O)c(N)c23)C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MITF O75030 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ GUCY1B2 O75343 1/20 0.33
▸ GUCY1A2 P33402 1/20 0.33
▸ GUCY1A1 Q02108 1/20 0.33
▸ GUCY1B1 Q02153 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CRHR2 Q13324 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
SCHEMBL19901703 1.00 MEN1 (0.35) MEN1KMT2AMITFPOLBRAB9A
SCHEMBL620199 0.94 GUCY1B2 (0.34) MEN1KMT2APDE3BTAS1R3TAS1R1
SCHEMBL620198 0.94 GUCY1B2 (0.34) MEN1KMT2APDE3BTAS1R3TAS1R1
SCHEMBL620495 0.89 ALDH1A1 (0.37) MEN1KMT2APOLBRAB9AKDM4E
SCHEMBL620496 0.89 ALDH1A1 (0.37) MEN1KMT2APOLBRAB9AKDM4E
SCHEMBL18080681 0.85 MEN1 (0.40) MEN1KMT2AMITFPOLBRAB9A
SCHEMBL28455506 0.85 GABRP (0.37) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL28455508 0.85 GABRP (0.37) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL620660 0.83 MEN1 (0.36) MEN1KMT2APOLBRAB9AKDM4E
SCHEMBL620519 0.82 TAS1R3 (0.35) MEN1KMT2ATAS1R3TAS1R1

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-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 — — US disclosed
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 — — 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 (1 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-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 MEN1 784/4885KMT2A 1673/4885MITF 1808/4885

“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.

Send feedback