Sugi Predict

Sugi Predict / Compounds / SCHEMBL289716

SCHEMBL289716

SCHEMBL289716

O=C(O)C1CCC(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ CYP2D6 P10635 3/20 0.56
▸ CYP2C19 P33261 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ TSHR P16473 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HCRTR2 O43614 3/20 0.54
▸ P2RX7 Q99572 2/20 0.54
▸ CYP2C9 P11712 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ HCRTR1 O43613 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL18204743 1.00 GAA (0.58) GAAPOLBCYP2D6CYP2C19KMT2A
SCHEMBL1613647 1.00 GAA (0.58) GAAPOLBCYP2D6CYP2C19KMT2A
SCHEMBL21183520 0.89 GAA (0.56) GAAPOLBCYP2D6CYP2C19KMT2A
SCHEMBL18217848 0.87 GAA (0.60) GAAPOLBCYP2D6CYP2C19KMT2A
SCHEMBL10408410 0.87 P2RX7 (0.54) GAAKMT2AHCRTR2P2RX7ALDH1A1
SCHEMBL16601331 0.87 P2RX7 (0.54) GAAKMT2AHCRTR2P2RX7ALDH1A1
SCHEMBL19975206 0.87 P2RX7 (0.54) GAAKMT2AHCRTR2P2RX7ALDH1A1
SCHEMBL289574 0.86 P2RX7 (0.56) GAACYP2D6CYP2C19KMT2ATSHR
SCHEMBL288651 0.86 P2RX7 (0.56) GAACYP2D6CYP2C19KMT2ATSHR
SCHEMBL288652 0.86 P2RX7 (0.56) GAACYP2D6CYP2C19KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 — — US disclosed
CN-110049985-B Heterocyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2022-05-31 — — CN disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 — — US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 — — US disclosed
EP-3292101-B1 TRICYCLIC SULFONES AS ROR-GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 — — EP disclosed
EP-3292101-B1 TRICYCLIC SULFONES AS ROR-GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 — — EP disclosed
CN-107709295-B Tricyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2021-05-04 — — CN disclosed
EP-3526218-B1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-04-21 — — EP disclosed
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-02 — — US disclosed
US-10711020-B2 Tricyclic sulfones as RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 — — US disclosed
US-9018206-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-28 — — US disclosed
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-09 — — US disclosed
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-06-13 — — US disclosed
US-8283363-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT LABORATORIES (US) 2012-10-09 — — US disclosed
US-8236798-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2012-08-07 — — US disclosed
EP-2427429-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-03-14 — — EP disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 — — US disclosed
WO-2010128102-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 — — WO disclosed
US-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 — — US disclosed
EP-0320630-A1 Enantiometric iodobenzamides THE VANDERBILT UNIVERSITY (US) 1989-06-21 — — 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 (8 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-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 GAA 565/4885POLB 3036/4885CYP2D6 2751/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C GAA 107/4885POLB 617/4885CYP2D6 562/4885
US-10711020-B2 Tricyclic sulfones as RORγ modulators RORC, RORB, RORA GAA 2296/4885POLB 4041/4885CYP2D6 264/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 GAA 565/4885POLB 3036/4885CYP2D6 2751/4885
US-10934286-B2 Heterocyclic sulfones as ROR gamma modulators RORC, RORB, RORA GAA 1326/4885POLB 3811/4885CYP2D6 362/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 GAA 565/4885POLB 3036/4885CYP2D6 2751/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 GAA 565/4885POLB 3036/4885CYP2D6 2751/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C GAA 75/4885POLB 833/4885CYP2D6 798/4885

“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.