Sugi Predict

Sugi Predict / Compounds / SCHEMBL23623347

SCHEMBL23623347

SCHEMBL23623347

O=C(NCc1cc(-c2cc(F)ccc2O)[nH]n1)c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ HCN1 O60741 1/20 0.39
▸ KCNK3 O14649 3/20 0.39
▸ KCNK9 Q9NPC2 3/20 0.39
▸ RORC P51449 2/20 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
SCHEMBL23611710 0.92 RXFP1 (0.40) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL23623344 0.91 OPRM1 (0.42) MEN1NPC1KMT2AOPRM1HCN1
SCHEMBL23623254 0.89 KCNK3 (0.47) MEN1NPC1KMT2AMAPTMAPK1
SCHEMBL23623350 0.89 HSD17B13 (0.40) MAPTOPRM1HCN1KCNK3KCNK9
SCHEMBL23623293 0.87 HPGD (0.43) MEN1KMT2AMAPTHCN1KCNK3
SCHEMBL23623292 0.86 KCNK3 (0.41) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL23623234 0.86 KCNK3 (0.50) OPRM1HCN1KCNK3KCNK9RORC
SCHEMBL23623250 0.85 F2R (0.41) MEN1KMT2AMAPTOPRM1HCN1
SCHEMBL23623811 0.84 KCNK3 (0.50) MEN1NPC1KMT2AMAPTNPSR1
SCHEMBL26601319 0.84 OPRM1 (0.41) OPRM1HCN1KCNK3KCNK9RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091590-A1 COMPOUNDS FOR USE IN TREATING GASTRIC CANCER BERG LLC (US) 2023-05-25 — — WO disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 — — US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 — — US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 — — US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 — — 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 (3 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 MEN1 4260/4885NPC1 1821/4885KMT2A 1523/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 MEN1 4260/4885NPC1 1821/4885KMT2A 1523/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 MEN1 4260/4885NPC1 1821/4885KMT2A 1523/4885

“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.