SCHEMBL23201892

SCHEMBL23201892

COC(=O)[C@@H](N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SCN9A Q15858 3/20 0.43
IDO1 P14902 2/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CYP2D6 P10635 2/20 0.40
SLC7A5 Q01650 1/20 0.40
TSHR P16473 1/20 0.40
TACR1 P25103 6/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL4502623 1.00 ALDH1A1 (0.44) ALDH1A1SCN9AIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL6962184 0.98 ALDH1A1 (0.46) ALDH1A1SCN9AIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL4502619 0.98 ALDH1A1 (0.46) ALDH1A1SCN9AIDO1HTR2AHTR2C
SCHEMBL3872154 0.86 GPR35 (0.42) SCN9AIDO1HTR2AHTR2CHTR2B
SCHEMBL26985777 0.85 HTR2A (0.61) IDO1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL31505846 0.85 HTR2A (0.61) IDO1HTR2AHTR2CHTR2BCYP2D6
SCHEMBL19301233 0.85 HTR2A (0.61) IDO1HTR2AHTR2CHTR2BCYP2D6
Hydrochloric Acid SCHEMBL7736837 0.85 IDO1 (0.42) SCN9AIDO1HTR2AHTR2CHTR2B
SCHEMBL3746455 0.84 GRB2 (0.51) ALDH1A1
SCHEMBL5367325 0.84 GRB2 (0.51) ALDH1A1

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 7 patents. 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-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

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-20210214377-A1 SYNTHESIS OF PEPTIDE BORATE ESTER COMPOUND AND USE THEREOF SEM1, VIP, PSMB11 ALDH1A1 4592/4885SCN9A 2753/4885IDO1 4558/4885
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof SEM1, VIP, PSMB11 ALDH1A1 4592/4885SCN9A 2753/4885IDO1 4558/4885

“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.