Sugi Predict

Sugi Predict / Compounds / SCHEMBL3811575

SCHEMBL3811575

SCHEMBL3811575

Cc1ccn(-c2ccc(C(=O)O)c(Cl)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.57
▸ NR4A1 P22736 1/20 0.57
▸ AVPR2 P30518 12/20 0.55
▸ AVPR1A P37288 6/20 0.52
▸ OXTR P30559 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TSHR P16473 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KAT6A Q92794 1/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6611595 0.88 AVPR2 (0.55) MYCNR4A1AVPR2AVPR1AOXTR
SCHEMBL6628264 0.87 AVPR2 (0.54) MYCNR4A1AVPR2AVPR1AOXTR
Methane SCHEMBL27553792 0.86 AVPR2 (0.53) MYCNR4A1AVPR2AVPR1AOXTR
SCHEMBL17158243 0.85 KAT6A (0.46) MYCNR4A1AVPR2AVPR1AOXTR
SCHEMBL3821527 0.85 AVPR2 (0.52) MYCAVPR2AVPR1AOXTRALDH1A1
SCHEMBL4708591 0.84 MYC (0.51) MYCNR4A1AVPR2AVPR1AOXTR
SCHEMBL6624777 0.80 ALDH1A1 (0.48) MYCAVPR2AVPR1AOXTRALDH1A1
SCHEMBL6614088 0.80 AVPR2 (0.51) AVPR2AVPR1AALDH1A1KAT6ANOTUM
SCHEMBL6624216 0.80 ALDH1A1 (0.44) MYCAVPR2AVPR1AOXTRALDH1A1
SCHEMBL20462877 0.79 KAT6A (0.61) AVPR2ALDH1A1L3MBTL1KAT6ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1391476-A Vasopressin agonist formulation and process AMERICAN CYANAMID CO (US) 2003-01-15 — — CN claimed
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 — — EP claimed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 — — WO claimed
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2021-11-02 — — US disclosed
US-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2020-08-06 — — US disclosed
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2020-06-02 — — US disclosed
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2019-05-09 — — US disclosed
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2018-03-08 — — US disclosed
US-9815857-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-11-14 — — US disclosed
US-20170210762-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2017-07-27 — — US disclosed
US-9598443-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2017-03-21 — — US disclosed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 — — WO disclosed
US-6194407-B1 INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-02-27 — — US disclosed
CN-1272111-A Tricyclic vasopressin agonists AMERICAN HOME PROD (US) 2000-11-01 — — CN disclosed
WO-2000046224-A2 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-10 — — WO disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 — — US disclosed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 — — EP disclosed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 — — EP disclosed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 — — WO disclosed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 — — 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 (6 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-20200247828-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MYC 2241/4885NR4A1 4097/4885AVPR2 4212/4885
US-11161858-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP MYC 2241/4885NR4A1 4097/4885AVPR2 4212/4885
US-20180065994-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MYC 2241/4885NR4A1 4097/4885AVPR2 4212/4885
US-20190135837-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MYC 2241/4885NR4A1 4097/4885AVPR2 4212/4885
US-10669291-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP MYC 2241/4885NR4A1 4097/4885AVPR2 4212/4885
US-20170210762-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP MYC 2241/4885NR4A1 4097/4885AVPR2 4212/4885

“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.