SCHEMBL4959307

SCHEMBL4959307

CC1(C)CCCC(C)(C)N1[O].NC(=O)CP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Phosphoric Acid SCHEMBL6824270 0.79 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL2812394 0.77 TSHR (0.41) TSHRNFKB1CYP2C19
SCHEMBL15135241 0.75 CA4 (0.36) TSHRNFKB1CYP2C19
SCHEMBL6492 0.72 TSHR (0.39) TSHRNFKB1CYP2C19
SCHEMBL162387 0.72
Hypochlorous Acid SCHEMBL15633664 0.70 TSHR (0.40) TSHRNFKB1CYP2C19
Succinic Acid SCHEMBL6263521 0.70 TSHR (0.42) TSHRNFKB1CYP2C19LMNA
Chloroacetic Acid SCHEMBL28284376 0.68 TSHR (0.42) TSHRNFKB1CYP2C19
Butane SCHEMBL11185393 0.68 MEN1 (0.43) TSHRMEN1LMNAHPGDBLM
SCHEMBL1082541 0.68 TSHR (0.43) TSHRNFKB1CYP2C19

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-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 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-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 TSHR 1831/4885NFKB1 966/4885CYP2C19 1428/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 TSHR 2111/4885NFKB1 1270/4885CYP2C19 1850/4885

“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.