Sugi Predict

Sugi Predict / Compounds / SCHEMBL10397191

SCHEMBL10397191

SCHEMBL10397191

NC(Cc1cncn1Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.55
▸ CYP11B2 P19099 4/20 0.55
▸ ALPI P09923 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ SLC7A5 Q01650 1/20 0.53
▸ NOS1 P29475 3/20 0.48
▸ IDO1 P14902 1/20 0.47
▸ ACE2 Q9BYF1 4/20 0.46
▸ ACE P12821 3/20 0.46
▸ SLC1A3 P43003 2/20 0.44
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41

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
SCHEMBL8255653 1.00 CYP11B1 (0.55) CYP11B1CYP11B2ALPIPKMPTGS1
SCHEMBL8297235 0.86 CYP11B1 (0.61) CYP11B1CYP11B2IDO1ACE2ACE
SCHEMBL6504426 0.86 CYP11B1 (0.61) CYP11B1CYP11B2IDO1ACE2ACE
Hydrochloric Acid SCHEMBL6504420 0.85 CYP11B1 (0.60) CYP11B1CYP11B2IDO1ACE2ACE
SCHEMBL5171581 0.83 SLC7A5 (0.47) CYP11B1CYP11B2ALPIPKMPTGS1
SCHEMBL9838948 0.81 NOS1 (0.49) CYP11B1CYP11B2ALPIPKMPTGS1
SCHEMBL9838939 0.81 NOS1 (0.49) CYP11B1CYP11B2ALPIPKMPTGS1
SCHEMBL5869486 0.80 ACE2 (0.62) CYP11B1CYP11B2PKMIDO1ACE2
SCHEMBL8250261 0.80 ACE2 (0.62) CYP11B1CYP11B2PKMIDO1ACE2
SCHEMBL5795113 0.80 SLC1A3 (0.49) ALPIPKMPTGS1XIAPSLC7A5

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 — — US claimed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 — — US claimed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 — — EP claimed
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 — — US disclosed
US-11629171-B2 Beta-hairpin peptidomimetics SPEXIS AG (CH) 2023-04-18 — — US disclosed
CN-115093463-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2022-09-23 — — CN disclosed
EP-3201219-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-17 — — EP disclosed
EP-3201218-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-03 — — EP disclosed
CN-105324390-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-10-19 — — CN disclosed
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS SPEXIS AG (CH) 2021-09-16 — — US disclosed
CN-105849119-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-01-19 — — CN disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 — — US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 — — CN disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 — — CN disclosed
US-4937352-A REACTING HISTIDINE DERIVATIVE WITH PHOSGENE, ALKYLATING, HYDROLYZING SCHERING AKTIENGESELLSCHAFT (DE) 1990-06-26 — — US disclosed
US-4772721-A INTERMEDIATES FOR PROTEINS, ENZYMES DIAMALT AG (DE) 1988-09-20 — — US disclosed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 — — US disclosed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 — — US disclosed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 — — EP 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 (5 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 CYP11B1 4182/4885CYP11B2 4307/4885ALPI 448/4885
US-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ CYP11B1 4849/4885CYP11B2 4865/4885ALPI 473/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP11B1 3401/4885CYP11B2 3560/4885ALPI 251/4885
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, POLQ, POLM CYP11B1 4845/4885CYP11B2 4820/4885ALPI 139/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S CYP11B1 4212/4885CYP11B2 4634/4885ALPI 1623/4885

“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.