SCHEMBL19386249

SCHEMBL19386249

COC(=O)SSCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
LMNA P02545 4/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGLN1 Q9GZT9 4/20 0.35
KDM5C P41229 3/20 0.35
PHF8 Q9UPP1 3/20 0.35
KDM2A Q9Y2K7 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM6B O15054 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH2 P05091 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
SCHEMBL19426303 0.90 TSHR (0.47) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL11616249 0.85 TSHR (0.35) TSHRLMNAHSD17B10ALDH1A1
SCHEMBL421346 0.79
SCHEMBL1720168 0.77
SCHEMBL10067112 0.76 LMNA (0.32) LMNA
SCHEMBL11618480 0.76 EPHX1 (0.36) HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL8568913 0.76 MAPT (0.42) TSHRLMNATDP1KDM4E
SCHEMBL8603684 0.74 TSHR (0.62) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL10435535 0.73
SCHEMBL11612026 0.72 EPHX1 (0.42) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433259-B1 CONJUGATES OF TACROLIMUS, THEIR COMPOSITIONS, AND THEIR USES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2021-06-30 EP disclosed
US-10913780-B2 Conjugates, their compositions, their uses, and their methods of making THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2021-02-09 US disclosed
US-10913780-B2 Conjugates, their compositions, their uses, and their methods of making THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2021-02-09 US disclosed
US-20190106473-A1 CONJUGATES, THEIR COMPOSITIONS, THEIR USES, AND THEIR METHODS OF MAKING THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2019-04-11 US disclosed
US-20190106473-A1 CONJUGATES, THEIR COMPOSITIONS, THEIR USES, AND THEIR METHODS OF MAKING THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2019-04-11 US disclosed
EP-3433259-A1 CONJUGATES OF TACROLIMUS, THEIR COMPOSITIONS, AND THEIR USES The Administrators of The Tulane Educational Fund (US) 2019-01-30 EP disclosed
WO-2017165607-A1 CONJUGATES OF TACROLIMUS, THEIR COMPOSITIONS, AND THEIR USES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2017-09-28 WO disclosed
WO-2017165607-A1 CONJUGATES OF TACROLIMUS, THEIR COMPOSITIONS, AND THEIR USES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2017-09-28 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 (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-10913780-B2 Conjugates, their compositions, their uses, and their methods of making INHA, INCENP, VIP TSHR 3814/4885LMNA 1617/4885KMT2A 1310/4885
US-20190106473-A1 CONJUGATES, THEIR COMPOSITIONS, THEIR USES, AND THEIR METHODS OF MAKING INHA, INCENP, VIP TSHR 3814/4885LMNA 1617/4885KMT2A 1310/4885

“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.