SCHEMBL15967440

SCHEMBL15967440

COC1(C(=O)O)CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNA3 P22001 2/20 0.33
FFAR3 O14843 1/20 0.32

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
SCHEMBL14943802 0.83 KCNA3 (0.30) KCNA3
SCHEMBL1468175 0.81
SCHEMBL15967442 0.81 NPSR1 (0.35) MEN1KMT2AKCNA3
SCHEMBL15967438 0.81 FFAR3 (0.31) FFAR3
SCHEMBL15967454 0.78 KCNA3 (0.35) MEN1CYP2C9KMT2AKCNA3
SCHEMBL2300431 0.77 FFAR3 (0.38) MEN1KMT2AFFAR3
SCHEMBL5634851 0.77
Hydrochloric Acid SCHEMBL11387822 0.75 FFAR3 (0.36) FFAR3
SCHEMBL19233 0.75 CYP2C19 (0.38) MEN1KMT2AFFAR3
SCHEMBL2572504 0.73 ALDH1A1 (0.35) CYP2C9FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
WO-2021203014-A1 PYRANO[4,3-B]L NDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
EP-3371171-A1 INHIBITORS OF RET Blueprint Medicines Corporation (US) 2018-09-12 EP disclosed
WO-2017079140-A1 INHIBITORS OF RET BLUEPRINT MEDICINES CORPORATION (US) 2017-05-11 WO disclosed
US-9249180-B2 C-3 alkyl and alkenyl modified betulinic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-9249180-B2 C-3 alkyl and alkenyl modified betulinic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
US-9249180-B2 C-3 alkyl and alkenyl modified betulinic acid derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
EP-2958930-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF HIV Bristol-Myers Squibb Company (US) 2015-12-30 EP disclosed
US-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-28 US disclosed
US-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-28 US disclosed
US-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-28 US disclosed
WO-2014130810-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF HIV BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-28 WO disclosed
WO-2014130810-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF HIV BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-28 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 (2 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-20140243298-A1 C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES BET1, TMPO, PGGT1B MEN1 3602/4885CYP2C9 439/4885KMT2A 3728/4885
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 MEN1 1802/4885CYP2C9 3054/4885KMT2A 4356/4885

“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.