SCHEMBL3300014

SCHEMBL3300014

Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.74
▸ KMT2A Q03164 6/20 0.74
▸ RECQL P46063 5/20 0.74
▸ TDP1 Q9NUW8 5/20 0.74
▸ TIMP3 P35625 4/20 0.74
▸ MEN1 O00255 4/20 0.74
▸ ALDH1A1 P00352 3/20 0.74
▸ USP2 O75604 2/20 0.74
▸ P2RY11 Q96G91 6/20 0.64
▸ HPSE Q9Y251 5/20 0.64
▸ MAPT P10636 5/20 0.64
▸ SIRT2 Q8IXJ6 4/20 0.64
▸ SIRT1 Q96EB6 4/20 0.64
▸ PKM P14618 4/20 0.64
▸ P2RX1 P51575 4/20 0.64
▸ P2RX3 P56373 4/20 0.64
▸ BRCA1 P38398 2/20 0.64
▸ ENPP3 O14638 1/20 0.64
▸ ENTPD3 O75355 1/20 0.64
▸ NR1I2 O75469 1/20 0.64

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
SCHEMBL17903265 0.92 P2RY11 (0.78) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL18136595 0.92 TIMP3 (0.78) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL6560525 0.91 HSD17B10 (0.62) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL5501853 0.91 P2RY11 (0.77) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL17903248 0.90 RECQL (0.62) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL11593603 0.90 TIMP3 (0.68) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL11758262 0.88 HSD17B10 (0.58) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL18211298 0.88 TIMP3 (0.64) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL11466435 0.87 TIMP3 (0.76) HSD17B10KMT2ARECQLTDP1TIMP3
SCHEMBL17903023 0.87 HSD17B10 (0.56) HSD17B10KMT2ARECQLTDP1TIMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 — — US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 — — US disclosed
US-8530448-B2 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2013-09-10 — — US disclosed
US-20100279958-A1 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION GLYCOMIMETICS, INC. (US) 2010-11-04 — — US disclosed
US-7741312-B2 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2010-06-22 — — US disclosed
US-20060194745-A1 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2006-08-31 — — US disclosed
US-7060685-B2 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2006-06-13 — — US disclosed
EP-1534725-A2 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION Glycomimetics, Inc. (US) 2005-06-01 — — EP disclosed
US-20040254145-A1 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2004-12-16 — — US disclosed
WO-2003097658-A2 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION GLYCOMIMETICS, INC. (US) 2003-11-27 — — WO 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 (4 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-20060194745-A1 Compounds and methods for inhibiting selectin-mediated function SELE, SELL, SELP HSD17B10 3396/4885KMT2A 2401/4885RECQL 4815/4885
US-20040254145-A1 Compounds and methods for inhibiting selectin-mediated function SELE, SELL, SELP HSD17B10 3324/4885KMT2A 2423/4885RECQL 4814/4885
US-20100279958-A1 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION SELE, SELL, SELP HSD17B10 3324/4885KMT2A 2423/4885RECQL 4814/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE HSD17B10 4434/4885KMT2A 3656/4885RECQL 2551/4885

“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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