Sugi Predict

Sugi Predict / Compounds / SCHEMBL3670995

SCHEMBL3670995

SCHEMBL3670995

CC1(C)OB(c2ccccc2CCNC(=O)O)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.44
▸ MTNR1A P48039 4/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ LIPG Q9Y5X9 2/20 0.36
▸ LPL P06858 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ P4HB P07237 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL19817457 0.86 CXCR2 (0.41) CXCR2LIPGLPLHPGDP4HB
SCHEMBL534424 0.83 LMNA (0.49) —
SCHEMBL29793803 0.82 NQO2 (0.48) CXCR2
SCHEMBL1345918 0.82 NQO2 (0.48) CXCR2
SCHEMBL19376817 0.82 HPGD (0.41) MTNR1AMTNR1BCA1CA2CA9
SCHEMBL22117230 0.81 NPSR1 (0.37) CXCR2HPGDNPC1
SCHEMBL902458 0.81 LIPG (0.49) CXCR2LIPGLPLP4HB
SCHEMBL4158920 0.78 AKR1B1 (0.46) CXCR2LIPGLPLP4HB
SCHEMBL30015929 0.78 CXCR2 (0.44) CXCR2CA9LIPGHPGDCA12
SCHEMBL10864 0.78 CXCR2 (0.44) CXCR2CA9LIPGHPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 — — US disclosed
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 — — US disclosed
EP-2488530-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS Merck Canada Inc. (CA) 2012-08-22 — — EP disclosed
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-08-09 — — US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 — — WO disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 — — EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 — — 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 CXCR2 642/4885MTNR1A 1628/4885MTNR1B 1271/4885
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS REN, AGTR1, AGTR2 CXCR2 654/4885MTNR1A 3432/4885MTNR1B 2837/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS CXCR2 3333/4885MTNR1A 3567/4885MTNR1B 2403/4885

“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.