Sugi Predict

Sugi Predict / Compounds / SCHEMBL387925

SCHEMBL387925

SCHEMBL387925

CCC[C@H](NC(=O)OC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.46
▸ FPR2 P25090 1/20 0.45
▸ CTSK P43235 2/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CHRM1 P11229 1/20 0.43
▸ AKR1A1 P14550 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ FOLH1 Q04609 9/20 0.42
▸ NOD1 Q9Y239 2/20 0.42
▸ MME P08473 1/20 0.41
▸ RIMKLA Q8IXN7 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
SCHEMBL387926 1.00 TGFBR1 (0.46) TGFBR1FPR2CTSKCTSSCHRM1
SCHEMBL1951736 0.88 NOD1 (0.51) CTSKCTSSHDAC2FOLH1NOD1
SCHEMBL1951738 0.88 NOD1 (0.51) CTSKCTSSHDAC2FOLH1NOD1
SCHEMBL7123665 0.85 NOD1 (0.57) FOLH1NOD1
SCHEMBL18782939 0.84 HDAC1 (0.45) TGFBR1FPR2CTSKCTSSCHRM1
SCHEMBL9007637 0.84 CTSK (0.42) TGFBR1FPR2CTSKCTSSCHRM1
SCHEMBL1858630 0.84 FPR2 (0.43) TGFBR1FPR2CTSKCTSSCHRM1
SCHEMBL9007639 0.84 CTSK (0.42) TGFBR1FPR2CTSKCTSSCHRM1
SCHEMBL12630385 0.83 CTSK (0.41) TGFBR1FPR2CTSKCTSSCHRM1
SCHEMBL890099 0.83 CTSK (0.41) TGFBR1FPR2CTSKCTSSCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
EP-2507232-B1 PROLINE DERIVATIVES NATIONAL HEALTH RES INST (TW) 2019-03-20 — — EP disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 — — US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 — — WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US 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 (7 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL TGFBR1 4572/4885FPR2 3926/4885CTSK 893/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TGFBR1 4489/4885FPR2 3812/4885CTSK 789/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L TGFBR1 3029/4885FPR2 4581/4885CTSK 1129/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TGFBR1 4489/4885FPR2 3812/4885CTSK 789/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS TGFBR1 4489/4885FPR2 3812/4885CTSK 789/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TGFBR1 4489/4885FPR2 3812/4885CTSK 789/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L TGFBR1 3029/4885FPR2 4581/4885CTSK 1129/4885

“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.