SCHEMBL3746455

SCHEMBL3746455

COC(=O)[C@@H](N)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.51
NOS3 P29474 3/20 0.50
NOS1 P29475 3/20 0.50
NOS2 P35228 3/20 0.50
PTPN1 P18031 2/20 0.48
PPARG P37231 4/20 0.47
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 1/20 0.47
DPP4 P27487 2/20 0.46
FAP Q12884 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 1/20 0.46
TPH1 P17752 2/20 0.46
MAOB P27338 1/20 0.44
PPARA Q07869 3/20 0.44

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
SCHEMBL5367325 1.00 GRB2 (0.51) GRB2NOS3NOS1NOS2PTPN1
SCHEMBL3746453 1.00 GRB2 (0.51) GRB2NOS3NOS1NOS2PTPN1
Hydrochloric Acid SCHEMBL3993099 0.98 GRB2 (0.50) GRB2NOS3NOS1NOS2PTPN1
Hydrochloric Acid SCHEMBL5367319 0.98 GRB2 (0.50) GRB2NOS3NOS1NOS2PTPN1
Hydrochloric Acid SCHEMBL27472608 0.98 GRB2 (0.50) GRB2NOS3NOS1NOS2PTPN1
SCHEMBL4829510 0.96 TPH1 (0.50) GRB2NOS3NOS1NOS2PTPN1
SCHEMBL540497 0.96 TPH1 (0.50) GRB2NOS3NOS1NOS2PTPN1
Hydrochloric Acid SCHEMBL540496 0.94 TPH1 (0.49) GRB2NOS3NOS1NOS2PTPN1
Hydrochloric Acid SCHEMBL540498 0.94 TPH1 (0.49) GRB2NOS3NOS1NOS2PTPN1
Hydrochloric Acid SCHEMBL3499707 0.88 MAOB (0.61) PPARGMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805237-B1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND JIANGSU CHUANGTE PHARMACEUTICAL TECH CO LTD (CN) 2026-01-28 EP disclosed
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO., LTD. (CN) 2023-01-03 US disclosed
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO., LTD. (CN) 2023-01-03 US disclosed
US-20210214377-A1 SYNTHESIS OF PEPTIDE BORATE ESTER COMPOUND AND USE THEREOF JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO., LTD. (CN) 2021-07-15 US disclosed
US-20210214377-A1 SYNTHESIS OF PEPTIDE BORATE ESTER COMPOUND AND USE THEREOF JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO., LTD. (CN) 2021-07-15 US disclosed
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
EP-3805237-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) 2021-04-14 EP disclosed
EP-3805237-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) 2021-04-14 EP disclosed
WO-2019228299-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND 江苏正大丰海制药有限公司 (CN) 2019-12-05 WO disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
US-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 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 (3 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-20210214377-A1 SYNTHESIS OF PEPTIDE BORATE ESTER COMPOUND AND USE THEREOF SEM1, VIP, PSMB11 GRB2 509/4885NOS3 2293/4885NOS1 2347/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 GRB2 2845/4885NOS3 2024/4885NOS1 2249/4885
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof SEM1, VIP, PSMB11 GRB2 509/4885NOS3 2293/4885NOS1 2347/4885

“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.