SCHEMBL4170748

SCHEMBL4170748

C[C@H](NC(=O)OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.44
F2 P00734 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MME P08473 3/20 0.41
LTA4H P09960 2/20 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
SCHEMBL4167697 1.00 TSHR (0.50) TSHRTP53LMNAF2SMN1; SMN2
SCHEMBL4168413 1.00 TSHR (0.50) TSHRTP53LMNAF2SMN1; SMN2
SCHEMBL10884686 0.87 TSHR (0.47) TSHRTP53LMNAF2SMN1; SMN2
SCHEMBL10884679 0.87 TSHR (0.47) TSHRTP53LMNAF2SMN1; SMN2
SCHEMBL20267323 0.86 TSHR (0.53) TSHRTP53LMNAF2SMN1; SMN2
SCHEMBL10785750 0.82 TSHR (0.46) TSHRTP53LMNAF2SMN1; SMN2
SCHEMBL30250995 0.81 GPR139 (0.51) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL31163512 0.81 GPR139 (0.51) TSHRLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6337548 0.79 TSHR (0.46) TSHRTP53LMNAF2SMN1; SMN2
SCHEMBL4914536 0.79 TSHR (0.46) TSHRTP53LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP claimed
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 US disclosed
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 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 (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-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR TSHR 4647/4885TP53 333/4885LMNA 1253/4885

“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.