SCHEMBL25854990

SCHEMBL25854990

O=C(N[C@H](C(=O)O)C1c2c(F)cc(F)cc2OCC12CC2)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.37
CYP3A4 P08684 6/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 3/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 2/20 0.36
CASP1 P29466 1/20 0.36
CTRB1 P17538 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL25854736 0.93 ATM (0.37) TSHRCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL25854891 0.86 MGLL (0.39) TSHRCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL25855290 0.85 TSHR (0.38) TSHRCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL25854737 0.81 AAK1 (0.35)
SCHEMBL25854639 0.79 MGLL (0.38) TSHRCYP3A4ALDH1A1ATMSMN1; SMN2
SCHEMBL25854678 0.78 TSHR (0.37) TSHRCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL25854641 0.75 TACR1 (0.38)
SCHEMBL25854729 0.74 AAK1 (0.36)
SCHEMBL25854730 0.73 AAK1 (0.36)
SCHEMBL25526489 0.72 OPRL1 (0.31)

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 TSHR 3265/4885CYP3A4 826/4885ALDH1A1 261/4885

“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.