SCHEMBL25855340

SCHEMBL25855340

O=CO[C@@H](NC(=O)OCc1ccccc1)C1c2cc(F)c(F)cc2OCC12CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 4/20 0.36
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TGM2 P21980 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 3/20 0.35
CASP1 P29466 2/20 0.35
CTRB1 P17538 2/20 0.34
IDO1 P14902 2/20 0.34
CYP2C9 P11712 2/20 0.34
TDO2 P48775 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL25855290 0.85 TSHR (0.38) ALDH1A1TSHRATMSMN1; SMN2NPC1
SCHEMBL25854678 0.84 TSHR (0.37) ALDH1A1TSHRATMSMN1; SMN2NPC1
SCHEMBL25854683 0.83 PREP (0.39) CTSBCTSSCTSK
SCHEMBL25862461 0.77 HRH4 (0.34) ALDH1A1TSHRATMSMN1; SMN2NPC1
SCHEMBL25854891 0.76 MGLL (0.39) ALDH1A1TSHRATMSMN1; SMN2NPC1
SCHEMBL25854639 0.74 MGLL (0.38) ALDH1A1TSHRATMSMN1; SMN2NPC1
SCHEMBL25854641 0.74 TACR1 (0.38) CASP3CTSBCTSSCTSK
SCHEMBL25854990 0.73 TSHR (0.37) ALDH1A1TSHRATMSMN1; SMN2NPC1
SCHEMBL25854736 0.72 ATM (0.37) ALDH1A1TSHRATMSMN1; SMN2NPC1
SCHEMBL25526258 0.67 AKR1B1 (0.32) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 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 (1 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-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA ALDH1A1 261/4885TSHR 3265/4885ATM 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.