SCHEMBL13012356

SCHEMBL13012356

NC1[C@H](O[C@@H]2C(CO)OC(O)C(N)[C@H]2O)OC(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ LRAT O95237 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ TRPV1 Q8NER1 1/20 0.55
▸ LMNA P02545 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ BLM P54132 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GJA1 P17302 1/20 0.45
▸ GJB2 P29033 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL8886136 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL14960710 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL14376646 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL3681479 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL24372177 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL23259481 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL19090412 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL425646 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL21916330 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1
SCHEMBL19074569 1.00 TSHR (0.57) TSHRHSD17B10LRATMEN1TRPV1

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
US-11780970-B2 Carbohydrate crosslinker GALDERMA HOLDING S.A. (CH) 2023-10-10 — — US disclosed
US-20230212360-A1 CARBOHYDRATE CROSSLINKER Galderma Holding SA (CH) 2023-07-06 — — US disclosed
US-20100323976-A1 NOVEL ANTI-INFLAMMATORY PRO-DRUGS ACADEMISCH MEDISCH CENTRUM (NL) 2010-12-23 — — 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 (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-11780970-B2 Carbohydrate crosslinker CD44, CSGALNACT1, STT3B TSHR 1236/4885HSD17B10 1478/4885LRAT 1946/4885
US-20100323976-A1 NOVEL ANTI-INFLAMMATORY PRO-DRUGS MSR1, ARG1, CD209 TSHR 2892/4885HSD17B10 1992/4885LRAT 1772/4885

“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.

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